1-(3,5-dimethylpiperidin-1-yl)-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-(3,5-dimethylpiperidino)-2-[(4-nitrophenyl)thio]propan-1-one Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H22N2O3S/c1-11-8-12(2)10-17(9-11)16(19)13(3)22-15-6-4-14(5-7-15)18(20)21/h4-7,11-13H,8-10H2,1-3H3