4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazino]methyl]-3-nitro-benzamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c1-22(2,3)18-6-8-19(9-7-18)32(30,31)25-12-10-24(11-13-25)15-17-5-4-16(21(23)27)14-20(17)26(28)29/h4-9,14H,10-13,15H2,1-3H3,(H2,23,27)