2-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-[(4-carbamimidoylphenyl)amino]-N-(phenylsulfonyl)ethanamide

Systemtic Name: 2-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-[(4-carbamimidoylphenyl)amino]-N-(phenylsulfonyl)ethanamide Openeye Name: N-(benzenesulfonyl)-2-(4-benzyloxy-2-bromo-5-methoxy-phenyl)-2-(4-carbamimidoylanilino)acetamide CAS Name: N-(benzenesulfonyl)-2-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-(4-carbamimidoylanilino)acetamide IUPAC Name: N-(benzenesulfonyl)-2-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-(4-carbamimidoylanilino)acetamide Traditional Name: 2-(4-amidinoanilino)-2-(4-benzoxy-2-bromo-5-methoxy-phenyl)-N-besyl-acetamide Formula: C29H27BrN4O5S MolecularWeight: 623.51748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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