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

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]butyl]-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-(4-guanidinobutyl)pyrrolidine-2-carboxamide CAS Name: N-[4-(diaminomethylideneamino)butyl]-1-[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(diaminomethylideneamino)butyl]-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-(4-guanidinobutyl)pyrrolidine-2-carboxamide Formula: C27H32Cl2N6O4S MolecularWeight: 607.55178

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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)NCCCCN=C(N)N)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NCCCCN=C(N)N)Cl)C=C1

InChI

InChI=1S/C27H32Cl2N6O4S/c1-17-9-10-18-6-4-8-22(25(18)34-17)39-16-19-20(28)11-12-23(24(19)29)40(37,38)35-15-5-7-21(35)26(36)32-13-2-3-14-33-27(30)31/h4,6,8-12,21H,2-3,5,7,13-16H2,1H3,(H,32,36)(H4,30,31,33)