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

Systemtic Name: 3-carbamimidoyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-[[4-(2-sulfamoylphenyl)phenyl]amino]propan-2-yl]benzamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-[4-(2-sulfamoylphenyl)anilino]ethyl]-3-carbamimidoyl-benzamide CAS Name: 3-carbamimidoyl-N-[(2S)-1-oxo-3-phenyl-1-[4-(2-sulfamoylphenyl)anilino]propan-2-yl]benzamide IUPAC Name: 3-carbamimidoyl-N-[(2S)-1-oxo-3-phenyl-1-[4-(2-sulfamoylphenyl)anilino]propan-2-yl]benzamide Traditional Name: 3-amidino-N-[(1S)-1-benzyl-2-keto-2-[4-(2-sulfamoylphenyl)anilino]ethyl]benzamide Formula: C29H27N5O4S MolecularWeight: 541.62078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(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

C1=CC=C(C=C1)C[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/C29H27N5O4S/c30-27(31)21-9-6-10-22(18-21)28(35)34-25(17-19-7-2-1-3-8-19)29(36)33-23-15-13-20(14-16-23)24-11-4-5-12-26(24)39(32,37)38/h1-16,18,25H,17H2,(H3,30,31)(H,33,36)(H,34,35)(H2,32,37,38)/t25-/m0/s1