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

Systemtic Name: 2-[(3-carbamimidoylphenyl)amino]-3-phenylmethoxy-N-[4-(2-sulfamoylphenyl)phenyl]propanamide Openeye Name: 3-benzyloxy-2-(3-carbamimidoylanilino)-N-[4-(2-sulfamoylphenyl)phenyl]propanamide CAS Name: 2-(3-carbamimidoylanilino)-3-phenylmethoxy-N-[4-(2-sulfamoylphenyl)phenyl]propanamide IUPAC Name: 2-(3-carbamimidoylanilino)-3-phenylmethoxy-N-[4-(2-sulfamoylphenyl)phenyl]propanamide Traditional Name: 2-(3-amidinoanilino)-3-benzoxy-N-[4-(2-sulfamoylphenyl)phenyl]propionamide Formula: C29H29N5O4S MolecularWeight: 543.63666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N5O4S/c30-28(31)22-9-6-10-24(17-22)33-26(19-38-18-20-7-2-1-3-8-20)29(35)34-23-15-13-21(14-16-23)25-11-4-5-12-27(25)39(32,36)37/h1-17,26,33H,18-19H2,(H3,30,31)(H,34,35)(H2,32,36,37)