N-(4-methylpiperazin-1-yl)sulfonyl-1-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)prop-2-enoyl]piperidine-3-carboxamide

Systemtic Name: N-(4-methylpiperazin-1-yl)sulfonyl-1-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)prop-2-enoyl]piperidine-3-carboxamide Openeye Name: N-(4-methylpiperazin-1-yl)sulfonyl-1-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)prop-2-enoyl]piperidine-3-carboxamide CAS Name: N-[(4-methyl-1-piperazinyl)sulfonyl]-1-[(E)-3-(5-nitro-1-cyclohexa-1,5-dienyl)-1-oxoprop-2-enyl]-3-piperidinecarboxamide IUPAC Name: N-(4-methylpiperazin-1-yl)sulfonyl-1-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)prop-2-enoyl]piperidine-3-carboxamide Traditional Name: N-(4-methylpiperazino)sulfonyl-1-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)acryloyl]nipecotamide Formula: C20H29N5O6S MolecularWeight: 467.53916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O6S/c1-22-10-12-24(13-11-22)32(30,31)21-20(27)17-5-3-9-23(15-17)19(26)8-7-16-4-2-6-18(14-16)25(28)29/h4,7-8,14,17H,2-3,5-6,9-13,15H2,1H3,(H,21,27)/b8-7+