1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine

Systemtic Name: 1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine Openeye Name: 1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine CAS Name: 1-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-4-(3-methyl-5-nitro-4-imidazolyl)piperazine IUPAC Name: 1-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-4-(3-methyl-5-nitroimidazol-4-yl)piperazine Traditional Name: 1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine Formula: C20H29N5O4S MolecularWeight: 435.54036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C3=C(N=CN3C)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C3=C(N=CN3C)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C20H29N5O4S/c1-14-11-16(20(3,4)5)12-15(2)17(14)30(28,29)24-9-7-23(8-10-24)19-18(25(26)27)21-13-22(19)6/h11-13H,7-10H2,1-6H3