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

Systemtic Name: (4-tert-butylphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H27N3O5S/c1-16-5-10-19(25(27)28)15-20(16)31(29,30)24-13-11-23(12-14-24)21(26)17-6-8-18(9-7-17)22(2,3)4/h5-10,15H,11-14H2,1-4H3