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

Systemtic Name: N-(4-bromophenyl)sulfonyl-2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanamide Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-N-(4-bromophenyl)sulfonyl-2-(4-carbamimidoylanilino)acetamide CAS Name: N-(4-bromophenyl)sulfonyl-2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide IUPAC Name: N-(4-bromophenyl)sulfonyl-2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide Traditional Name: 2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)-N-brosyl-acetamide Formula: C29H27BrN4O5S MolecularWeight: 623.51748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H27BrN4O5S/c1-38-26-17-21(9-16-25(26)39-18-19-5-3-2-4-6-19)27(33-23-12-7-20(8-13-23)28(31)32)29(35)34-40(36,37)24-14-10-22(30)11-15-24/h2-17,27,33H,18H2,1H3,(H3,31,32)(H,34,35)