1-[(3-carbamimidoylphenyl)amino]-N-[4-(2-sulfamoylphenyl)phenyl]cyclopentane-1-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)amino]-N-[4-(2-sulfamoylphenyl)phenyl]cyclopentane-1-carboxamide Openeye Name: 1-(3-carbamimidoylanilino)-N-[4-(2-sulfamoylphenyl)phenyl]cyclopentanecarboxamide CAS Name: 1-(3-carbamimidoylanilino)-N-[4-(2-sulfamoylphenyl)phenyl]-1-cyclopentanecarboxamide IUPAC Name: 1-(3-carbamimidoylanilino)-N-[4-(2-sulfamoylphenyl)phenyl]cyclopentane-1-carboxamide Traditional Name: 1-(3-amidinoanilino)-N-[4-(2-sulfamoylphenyl)phenyl]cyclopentanecarboxamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CCC(C1)(C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H27N5O3S/c26-23(27)18-6-5-7-20(16-18)30-25(14-3-4-15-25)24(31)29-19-12-10-17(11-13-19)21-8-1-2-9-22(21)34(28,32)33/h1-2,5-13,16,30H,3-4,14-15H2,(H3,26,27)(H,29,31)(H2,28,32,33)