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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)-N-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-N-benzylsulfonyl-2-(4-carbamimidoylanilino)acetamide CAS Name: 2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-N-(phenylmethyl)sulfonylacetamide IUPAC Name: N-benzylsulfonyl-2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide Traditional Name: 2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)-N-benzylsulfonyl-acetamide Formula: C30H30N4O5S MolecularWeight: 558.648

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H30N4O5S/c1-38-27-18-24(14-17-26(27)39-19-21-8-4-2-5-9-21)28(33-25-15-12-23(13-16-25)29(31)32)30(35)34-40(36,37)20-22-10-6-3-7-11-22/h2-18,28,33H,19-20H2,1H3,(H3,31,32)(H,34,35)