N-[1-[3-[bis(azanyl)methylideneamino]propanoyl]piperidin-4-yl]-1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[3-[bis(azanyl)methylideneamino]propanoyl]piperidin-4-yl]-1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide Openeye Name: 1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-N-[1-(3-guanidinopropanoyl)-4-piperidyl]pyrrolidine-2-carboxamide CAS Name: N-[1-[3-(diaminomethylideneamino)-1-oxopropyl]-4-piperidinyl]-1-[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[3-(diaminomethylideneamino)propanoyl]piperidin-4-yl]-1-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide Traditional Name: 1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-N-[1-(3-guanidinopropanoyl)-4-piperidyl]pyrrolidine-2-carboxamide Formula: C31H37Cl2N7O5S MolecularWeight: 690.64038

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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)NC5CCN(CC5)C(=O)CCN=C(N)N)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NC5CCN(CC5)C(=O)CCN=C(N)N)Cl)C=C1

InChI

InChI=1S/C31H37Cl2N7O5S/c1-19-7-8-20-4-2-6-25(29(20)37-19)45-18-22-23(32)9-10-26(28(22)33)46(43,44)40-15-3-5-24(40)30(42)38-21-12-16-39(17-13-21)27(41)11-14-36-31(34)35/h2,4,6-10,21,24H,3,5,11-18H2,1H3,(H,38,42)(H4,34,35,36)