2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)-N-[(E)-2-phenylethenyl]sulfonyl-ethanamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)-N-[(E)-2-phenylethenyl]sulfonyl-ethanamide Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)-N-[(E)-styryl]sulfonyl-acetamide CAS Name: 2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-N-[(E)-2-phenylethenyl]sulfonylacetamide Traditional Name: 2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)-N-[(E)-styryl]sulfonyl-acetamide Formula: C31H30N4O5S MolecularWeight: 570.6587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C=CC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)/C=C/C2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

InChI

InChI=1S/C31H30N4O5S/c1-39-28-20-25(14-17-27(28)40-21-23-10-6-3-7-11-23)29(34-26-15-12-24(13-16-26)30(32)33)31(36)35-41(37,38)19-18-22-8-4-2-5-9-22/h2-20,29,34H,21H2,1H3,(H3,32,33)(H,35,36)/b19-18+