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

Systemtic Name: 3-chloranyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-benzamide Openeye Name: 3-chloro-5-nitro-N-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]benzamide CAS Name: 3-chloro-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-5-nitrobenzamide IUPAC Name: 3-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-nitrobenzamide Traditional Name: 3-chloro-N-[2-keto-2-(4-tosylpiperazino)ethyl]-5-nitro-benzamide Formula: C20H21ClN4O6S MolecularWeight: 480.92194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O6S/c1-14-2-4-18(5-3-14)32(30,31)24-8-6-23(7-9-24)19(26)13-22-20(27)15-10-16(21)12-17(11-15)25(28)29/h2-5,10-12H,6-9,13H2,1H3,(H,22,27)