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

Systemtic Name: N-ethylsulfonyl-1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-2-carboxamide Openeye Name: N-ethylsulfonyl-1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-2-carboxamide CAS Name: N-ethylsulfonyl-1-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-2-piperidinecarboxamide IUPAC Name: N-ethylsulfonyl-1-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperidine-2-carboxamide Traditional Name: N-esyl-1-[2-(4-mercapto-3-nitro-phenyl)acryloyl]pipecolinamide Formula: C17H21N3O6S2 MolecularWeight: 427.49514

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(=O)C1CCCCN1C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)NC(=O)C1CCCCN1C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6S2/c1-3-28(25,26)18-16(21)13-6-4-5-9-19(13)17(22)11(2)12-7-8-15(27)14(10-12)20(23)24/h7-8,10,13,27H,2-6,9H2,1H3,(H,18,21)