[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(3,5-dinitrophenyl)methanone

Systemtic Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: (3,5-dinitrophenyl)-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-(3,5-dinitrophenyl)methanone IUPAC Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: (3,5-dinitrophenyl)-[4-(4-sec-butylphenyl)sulfonylpiperazino]methanone Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O7S/c1-3-15(2)16-4-6-20(7-5-16)33(31,32)23-10-8-22(9-11-23)21(26)17-12-18(24(27)28)14-19(13-17)25(29)30/h4-7,12-15H,3,8-11H2,1-2H3