N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-chlorophenyl)propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-chlorophenyl)propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-chlorophenyl)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(2-chlorophenyl)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(2-chlorophenyl)propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-chlorophenyl)propionamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-29-21-12-11-18(30(27,28)25-14-6-2-3-7-15-25)16-20(21)24-22(26)13-10-17-8-4-5-9-19(17)23/h4-5,8-9,11-12,16H,2-3,6-7,10,13-15H2,1H3,(H,24,26)