3-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]-4-methoxy-benzamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27ClN2O4S/c1-29-20-11-8-18(22(26)24-13-12-17-6-9-19(23)10-7-17)16-21(20)30(27,28)25-14-4-2-3-5-15-25/h6-11,16H,2-5,12-15H2,1H3,(H,24,26)