1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-[[isopropyl(methyl)amino]methyl]piperidino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)CC1CCN(CC1)C(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C)CC1CCN(CC1)C(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H29N3O3S/c1-14(2)20(4)13-16-9-11-21(12-10-16)19(23)15(3)26-18-7-5-17(6-8-18)22(24)25/h5-8,14-16H,9-13H2,1-4H3