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

Systemtic Name: 3-chloranyl-N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-benzamide Openeye Name: 3-chloro-N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-5-nitro-benzamide CAS Name: 3-chloro-N-[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-5-nitrobenzamide IUPAC Name: 3-chloro-N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-nitrobenzamide Traditional Name: 3-chloro-N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]-5-nitro-benzamide Formula: C21H23ClN4O6S MolecularWeight: 494.94852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H23ClN4O6S/c1-14-3-4-19(9-15(14)2)33(31,32)25-7-5-24(6-8-25)20(27)13-23-21(28)16-10-17(22)12-18(11-16)26(29)30/h3-4,9-12H,5-8,13H2,1-2H3,(H,23,28)