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

Systemtic Name: 1-[(3-carbamimidoylphenyl)amino]-N-[4-(2-sulfamoylphenyl)phenyl]cyclohexane-1-carboxamide Openeye Name: 1-(3-carbamimidoylanilino)-N-[4-(2-sulfamoylphenyl)phenyl]cyclohexanecarboxamide CAS Name: 1-(3-carbamimidoylanilino)-N-[4-(2-sulfamoylphenyl)phenyl]-1-cyclohexanecarboxamide IUPAC Name: 1-(3-carbamimidoylanilino)-N-[4-(2-sulfamoylphenyl)phenyl]cyclohexane-1-carboxamide Traditional Name: 1-(3-amidinoanilino)-N-[4-(2-sulfamoylphenyl)phenyl]cyclohexanecarboxamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H29N5O3S/c27-24(28)19-7-6-8-21(17-19)31-26(15-4-1-5-16-26)25(32)30-20-13-11-18(12-14-20)22-9-2-3-10-23(22)35(29,33)34/h2-3,6-14,17,31H,1,4-5,15-16H2,(H3,27,28)(H,30,32)(H2,29,33,34)