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

Systemtic Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazino]-3-nitro-benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H26N4O5S/c1-21(2,3)16-5-7-17(8-6-16)31(29,30)24-12-10-23(11-13-24)18-9-4-15(20(22)26)14-19(18)25(27)28/h4-9,14H,10-13H2,1-3H3,(H2,22,26)