1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Openeye Name: 1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one CAS Name: 1-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(1,3,5-trimethyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Traditional Name: 1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Formula: C25H38N4O3S MolecularWeight: 474.65922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)CCC3=C(N(N=C3C)C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)CCC3=C(N(N=C3C)C)C)C)C(C)(C)C

InChI

InChI=1S/C25H38N4O3S/c1-17-15-21(25(5,6)7)16-18(2)24(17)33(31,32)29-13-11-28(12-14-29)23(30)10-9-22-19(3)26-27(8)20(22)4/h15-16H,9-14H2,1-8H3