N-[1-[3-[bis(azanyl)methylideneamino]propanoyl]piperidin-4-yl]-1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-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-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide Openeye Name: 1-[2,4-dichloro-3-[(2,4-dimethyl-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-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[3-(diaminomethylideneamino)propanoyl]piperidin-4-yl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide Traditional Name: 1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-N-[1-(3-guanidinopropanoyl)-4-piperidyl]pyrrolidine-2-carboxamide Formula: C32H39Cl2N7O5S MolecularWeight: 704.66696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NC5CCN(CC5)C(=O)CCN=C(N)N)Cl)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NC5CCN(CC5)C(=O)CCN=C(N)N)Cl)C

InChI

InChI=1S/C32H39Cl2N7O5S/c1-19-17-20(2)38-30-22(19)5-3-7-26(30)46-18-23-24(33)8-9-27(29(23)34)47(44,45)41-14-4-6-25(41)31(43)39-21-11-15-40(16-12-21)28(42)10-13-37-32(35)36/h3,5,7-9,17,21,25H,4,6,10-16,18H2,1-2H3,(H,39,43)(H4,35,36,37)