1-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2,4-dimethylbenzoyl)-1-piperidyl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(2,4-dimethylbenzoyl)piperidino]-2-[(4-nitrophenyl)thio]ethanone Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N2O4S/c1-15-3-8-20(16(2)13-15)22(26)17-9-11-23(12-10-17)21(25)14-29-19-6-4-18(5-7-19)24(27)28/h3-8,13,17H,9-12,14H2,1-2H3