5-tert-butyl-3-(4-chlorophenyl)sulfinyl-azepan-2-one

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)sulfinyl-azepan-2-one Openeye Name: 5-tert-butyl-3-(4-chlorophenyl)sulfinyl-azepan-2-one CAS Name: 5-tert-butyl-3-(4-chlorophenyl)sulfinyl-2-azepanone IUPAC Name: 5-tert-butyl-3-(4-chlorophenyl)sulfinylazepan-2-one Traditional Name: 5-tert-butyl-3-(4-chlorophenyl)sulfinyl-azepan-2-one Formula: C16H22ClNO2S MolecularWeight: 327.86938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCNC(=O)C(C1)S(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1CCNC(=O)C(C1)S(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H22ClNO2S/c1-16(2,3)11-8-9-18-15(19)14(10-11)21(20)13-6-4-12(17)5-7-13/h4-7,11,14H,8-10H2,1-3H3,(H,18,19)