2-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-pyrazol-3-one

Systemtic Name: 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-pyrazol-3-one Openeye Name: 2-[1-(4-tert-butylphenyl)sulfonyl-4-piperidyl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-pyrazol-3-one CAS Name: 2-[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3-pyrazolone IUPAC Name: 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-5-(3,4-dimethoxyphenyl)-4,4-dimethylpyrazol-3-one Traditional Name: 2-[1-(4-tert-butylphenyl)sulfonyl-4-piperidyl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-pyrazolin-3-one Formula: C28H37N3O5S MolecularWeight: 527.67548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NN(C1=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1(C(=NN(C1=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C28H37N3O5S/c1-27(2,3)20-9-11-22(12-10-20)37(33,34)30-16-14-21(15-17-30)31-26(32)28(4,5)25(29-31)19-8-13-23(35-6)24(18-19)36-7/h8-13,18,21H,14-17H2,1-7H3