4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-(2-chlorophenyl)sulfonylpiperazino]methyl]-3-nitro-benzamide Formula: C18H19ClN4O5S MolecularWeight: 438.88526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H19ClN4O5S/c19-15-3-1-2-4-17(15)29(27,28)22-9-7-21(8-10-22)12-14-6-5-13(18(20)24)11-16(14)23(25)26/h1-6,11H,7-10,12H2,(H2,20,24)