N,N-dimethyl-1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]-4-oxidanyl-piperidine-3-carboxamide

Systemtic Name: N,N-dimethyl-1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]-4-oxidanyl-piperidine-3-carboxamide Openeye Name: 4-hydroxy-N,N-dimethyl-1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxamide CAS Name: 4-hydroxy-1-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-N,N-dimethyl-3-piperidinecarboxamide IUPAC Name: 4-hydroxy-N,N-dimethyl-1-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxamide Traditional Name: 4-hydroxy-1-[2-(4-mercapto-3-nitro-phenyl)acryloyl]-N,N-dimethyl-nipecotamide Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CN(CCC1O)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1CN(CCC1O)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S/c1-10(11-4-5-15(26)13(8-11)20(24)25)16(22)19-7-6-14(21)12(9-19)17(23)18(2)3/h4-5,8,12,14,21,26H,1,6-7,9H2,2-3H3