(2S)-1-[2,4-bis(chloranyl)-3-[(4-imidazol-1-yl-2-methyl-quinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-methyl-N-[2-[methyl(4-oxidanylbutyl)amino]ethyl]pyrrolidine-2-carboxamide; methanesulfonic acid

Systemtic Name: (2S)-1-[2,4-bis(chloranyl)-3-[(4-imidazol-1-yl-2-methyl-quinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-methyl-N-[2-[methyl(4-oxidanylbutyl)amino]ethyl]pyrrolidine-2-carboxamide; methanesulfonic acid Openeye Name: (2S)-1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-N-[2-[4-hydroxybutyl(methyl)amino]ethyl]-N-methyl-pyrrolidine-2-carboxamide; methanesulfonic acid CAS Name: (2S)-1-[2,4-dichloro-3-[[4-(1-imidazolyl)-2-methyl-8-quinolinyl]oxymethyl]phenyl]sulfonyl-N-[2-[4-hydroxybutyl(methyl)amino]ethyl]-N-methyl-2-pyrrolidinecarboxamide; methanesulfonic acid IUPAC Name: (2S)-1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[2-[4-hydroxybutyl(methyl)amino]ethyl]-N-methylpyrrolidine-2-carboxamide; methanesulfonic acid Traditional Name: (2S)-1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-N-[2-[4-hydroxybutyl(methyl)amino]ethyl]-N-methyl-pyrrolidine-2-carboxamide; mesylic acid Formula: C34H44Cl2N6O8S2 MolecularWeight: 799.78456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)N(C)CCN(C)CCCCO)Cl)C(=C1)N5C=CN=C5.CS(=O)(=O)O

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCC[C@H]4C(=O)N(C)CCN(C)CCCCO)Cl)C(=C1)N5C=CN=C5.CS(=O)(=O)O

InChI

InChI=1S/C33H40Cl2N6O5S.CH4O3S/c1-23-20-28(40-16-13-36-22-40)24-8-6-10-29(32(24)37-23)46-21-25-26(34)11-12-30(31(25)35)47(44,45)41-15-7-9-27(41)33(43)39(3)18-17-38(2)14-4-5-19-42;1-5(2,3)4/h6,8,10-13,16,20,22,27,42H,4-5,7,9,14-15,17-19,21H2,1-3H3;1H3,(H,2,3,4)/t27-;/m0./s1