2-(3-nitro-4-sulfanyl-phenyl)-N-piperidin-1-yl-prop-2-enamide

Systemtic Name: 2-(3-nitro-4-sulfanyl-phenyl)-N-piperidin-1-yl-prop-2-enamide Openeye Name: 2-(3-nitro-4-sulfanyl-phenyl)-N-(1-piperidyl)prop-2-enamide CAS Name: 2-(4-mercapto-3-nitrophenyl)-N-(1-piperidinyl)-2-propenamide IUPAC Name: 2-(3-nitro-4-sulfanylphenyl)-N-piperidin-1-ylprop-2-enamide Traditional Name: 2-(4-mercapto-3-nitro-phenyl)-N-piperidino-acrylamide Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)NN2CCCCC2

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)NN2CCCCC2

InChI

InChI=1S/C14H17N3O3S/c1-10(14(18)15-16-7-3-2-4-8-16)11-5-6-13(21)12(9-11)17(19)20/h5-6,9,21H,1-4,7-8H2,(H,15,18)