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

Systemtic Name: N-(4-methylpiperazin-1-yl)sulfonyl-1-[(E)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxamide Openeye Name: N-(4-methylpiperazin-1-yl)sulfonyl-1-[(E)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxamide CAS Name: 1-[(E)-3-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-N-[(4-methyl-1-piperazinyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(4-methylpiperazin-1-yl)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-(4-methylpiperazino)sulfonyl-nipecotamide Formula: C20H27N5O6S2 MolecularWeight: 497.58828

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)NC(=O)C2CCCN(C2)C(=O)C=CC3=CC(=C(C=C3)S)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)NC(=O)C2CCCN(C2)C(=O)/C=C/C3=CC(=C(C=C3)S)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O6S2/c1-22-9-11-24(12-10-22)33(30,31)21-20(27)16-3-2-8-23(14-16)19(26)7-5-15-4-6-18(32)17(13-15)25(28)29/h4-7,13,16,32H,2-3,8-12,14H2,1H3,(H,21,27)/b7-5+