5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-piperidin-1-yl-cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-piperidin-1-yl-cyclohex-2-en-1-one Openeye Name: 5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-(1-piperidyl)cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-2-[(4-nitrophenyl)thio]-3-(1-piperidinyl)-1-cyclohex-2-enone IUPAC Name: 5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-piperidin-1-ylcyclohex-2-en-1-one Traditional Name: 5,5-dimethyl-2-[(4-nitrophenyl)thio]-3-piperidino-cyclohex-2-en-1-one Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)[N+](=O)[O-])N3CCCCC3)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=CC=C(C=C2)[N+](=O)[O-])N3CCCCC3)C

InChI

InChI=1S/C19H24N2O3S/c1-19(2)12-16(20-10-4-3-5-11-20)18(17(22)13-19)25-15-8-6-14(7-9-15)21(23)24/h6-9H,3-5,10-13H2,1-2H3