4-tert-butyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-nitro-benzamide

Systemtic Name: 4-tert-butyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-nitro-benzamide Openeye Name: 4-tert-butyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-nitro-benzamide CAS Name: 4-tert-butyl-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-tert-butyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-nitrobenzamide Traditional Name: 4-tert-butyl-N-[4-(4-methylpiperazino)sulfonylphenyl]-3-nitro-benzamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c1-22(2,3)19-10-5-16(15-20(19)26(28)29)21(27)23-17-6-8-18(9-7-17)32(30,31)25-13-11-24(4)12-14-25/h5-10,15H,11-14H2,1-4H3,(H,23,27)