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

Systemtic Name: N-(4-methylphenyl)sulfonyl-1-[(E)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxamide Openeye Name: 1-[(E)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]-N-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: 1-[(E)-3-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-N-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-methylphenyl)sulfonyl-1-[(E)-3-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxamide Traditional Name: 1-[(E)-3-(4-mercapto-3-nitro-phenyl)acryloyl]-N-tosyl-nipecotamide Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2CCCN(C2)C(=O)C=CC3=CC(=C(C=C3)S)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2CCCN(C2)C(=O)/C=C/C3=CC(=C(C=C3)S)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6S2/c1-15-4-8-18(9-5-15)33(30,31)23-22(27)17-3-2-12-24(14-17)21(26)11-7-16-6-10-20(32)19(13-16)25(28)29/h4-11,13,17,32H,2-3,12,14H2,1H3,(H,23,27)/b11-7+