3-chloranyl-5-nitro-N-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]benzamide

Systemtic Name: 3-chloranyl-5-nitro-N-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]benzamide Openeye Name: 3-chloro-5-nitro-N-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]benzamide CAS Name: 3-chloro-5-nitro-N-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]benzamide IUPAC Name: 3-chloro-5-nitro-N-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]benzamide Traditional Name: 3-chloro-N-[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]-5-nitro-benzamide Formula: C21H21ClN4O6S MolecularWeight: 492.93264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-])S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CNC(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-])S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O6S/c22-18-12-17(13-19(14-18)26(29)30)21(28)23-15-20(27)24-7-9-25(10-8-24)33(31,32)11-6-16-4-2-1-3-5-16/h1-6,11-14H,7-10,15H2,(H,23,28)/b11-6+