2-[(3-carbamimidoylphenyl)amino]-3-cyclohexyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide

Systemtic Name: 2-[(3-carbamimidoylphenyl)amino]-3-cyclohexyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide Openeye Name: 2-(3-carbamimidoylanilino)-3-cyclohexyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide CAS Name: 2-(3-carbamimidoylanilino)-3-cyclohexyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide IUPAC Name: 2-(3-carbamimidoylanilino)-3-cyclohexyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide Traditional Name: 2-(3-amidinoanilino)-3-cyclohexyl-N-[4-(2-sulfamoylphenyl)phenyl]propionamide Formula: C28H33N5O3S MolecularWeight: 519.65832

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H33N5O3S/c29-27(30)21-9-6-10-23(18-21)32-25(17-19-7-2-1-3-8-19)28(34)33-22-15-13-20(14-16-22)24-11-4-5-12-26(24)37(31,35)36/h4-6,9-16,18-19,25,32H,1-3,7-8,17H2,(H3,29,30)(H,33,34)(H2,31,35,36)