1-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-(4-tert-butylphenyl)sulfonyl-3-methylpiperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazino]-3,3-dimethyl-butan-1-one Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)CC(C)(C)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)CC(C)(C)C

InChI

InChI=1S/C21H34N2O3S/c1-16-15-22(19(24)14-20(2,3)4)12-13-23(16)27(25,26)18-10-8-17(9-11-18)21(5,6)7/h8-11,16H,12-15H2,1-7H3