3-(azepan-1-ylsulfonyl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-benzoyl-4-chloro-phenyl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2-benzoyl-4-chlorophenyl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-benzoyl-4-chlorophenyl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-benzoyl-4-chloro-phenyl)-4-methoxy-benzamide Formula: C27H27ClN2O5S MolecularWeight: 527.03168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H27ClN2O5S/c1-35-24-14-11-20(17-25(24)36(33,34)30-15-7-2-3-8-16-30)27(32)29-23-13-12-21(28)18-22(23)26(31)19-9-5-4-6-10-19/h4-6,9-14,17-18H,2-3,7-8,15-16H2,1H3,(H,29,32)