3-carbamimidoyl-N-[(1S)-1-cyclohexyl-2-oxidanylidene-2-[[4-(2-sulfamoylphenyl)phenyl]amino]ethyl]benzamide

Systemtic Name: 3-carbamimidoyl-N-[(1S)-1-cyclohexyl-2-oxidanylidene-2-[[4-(2-sulfamoylphenyl)phenyl]amino]ethyl]benzamide Openeye Name: 3-carbamimidoyl-N-[(1S)-1-cyclohexyl-2-oxo-2-[4-(2-sulfamoylphenyl)anilino]ethyl]benzamide CAS Name: 3-carbamimidoyl-N-[(1S)-1-cyclohexyl-2-oxo-2-[4-(2-sulfamoylphenyl)anilino]ethyl]benzamide IUPAC Name: 3-carbamimidoyl-N-[(1S)-1-cyclohexyl-2-oxo-2-[4-(2-sulfamoylphenyl)anilino]ethyl]benzamide Traditional Name: 3-amidino-N-[(1S)-1-cyclohexyl-2-keto-2-[4-(2-sulfamoylphenyl)anilino]ethyl]benzamide Formula: C28H31N5O4S MolecularWeight: 533.64184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCC(CC1)[C@@H](C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)NC(=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C28H31N5O4S/c29-26(30)20-9-6-10-21(17-20)27(34)33-25(19-7-2-1-3-8-19)28(35)32-22-15-13-18(14-16-22)23-11-4-5-12-24(23)38(31,36)37/h4-6,9-17,19,25H,1-3,7-8H2,(H3,29,30)(H,32,35)(H,33,34)(H2,31,36,37)/t25-/m0/s1