2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-N-piperidin-1-yl-prop-2-enamide

Systemtic Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-N-piperidin-1-yl-prop-2-enamide Openeye Name: 2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]-N-(1-piperidyl)prop-2-enamide CAS Name: 2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-N-(1-piperidinyl)-2-propenamide IUPAC Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]-N-piperidin-1-ylprop-2-enamide Traditional Name: 2-[3-nitro-4-(o-cumenylthio)phenyl]-N-piperidino-acrylamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)NN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)NN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O3S/c1-16(2)19-9-5-6-10-21(19)30-22-12-11-18(15-20(22)26(28)29)17(3)23(27)24-25-13-7-4-8-14-25/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3,(H,24,27)