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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)-N-(4-nitrophenyl)sulfonyl-ethanamide Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)-N-(4-nitrophenyl)sulfonyl-acetamide CAS Name: 2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-N-(4-nitrophenyl)sulfonylacetamide IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-N-(4-nitrophenyl)sulfonylacetamide Traditional Name: 2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)-N-nosyl-acetamide Formula: C29H27N5O7S MolecularWeight: 589.61898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])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)C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

InChI

InChI=1S/C29H27N5O7S/c1-40-26-17-21(9-16-25(26)41-18-19-5-3-2-4-6-19)27(32-22-10-7-20(8-11-22)28(30)31)29(35)33-42(38,39)24-14-12-23(13-15-24)34(36)37/h2-17,27,32H,18H2,1H3,(H3,30,31)(H,33,35)