[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-(3-methyl-2-nitrophenyl)methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-2-nitrophenyl)methanone Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazino]-(3-methyl-2-nitro-phenyl)methanone Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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