2-(4-nitrophenyl)sulfanyl-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]propan-1-one CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(2-keto-2-piperidino-ethyl)piperazino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC(=O)N2CCCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC(=O)N2CCCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O4S/c1-16(29-18-7-5-17(6-8-18)24(27)28)20(26)23-13-11-21(12-14-23)15-19(25)22-9-3-2-4-10-22/h5-8,16H,2-4,9-15H2,1H3