[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-[2-(methylamino)-5-nitrophenyl]methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[2-(methylamino)-5-nitrophenyl]methanone Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazino]-[2-(methylamino)-5-nitro-phenyl]methanone 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)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC

Isomeric SMILES

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

InChI

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