(4-azanyl-3-nitro-phenyl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-amino-3-nitro-phenyl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-amino-3-nitrophenyl)-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-amino-3-nitro-phenyl)-[4-(4-tert-butylphenyl)sulfonylpiperazino]methanone 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)C(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)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)20(26)15-4-9-18(22)19(14-15)25(27)28/h4-9,14H,10-13,22H2,1-3H3