5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrazol-3-one

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrazol-3-one Openeye Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(8-quinolylsulfonyl)-4-piperidyl]pyrazol-3-one CAS Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(8-quinolinylsulfonyl)-4-piperidinyl]-3-pyrazolone IUPAC Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrazol-3-one Traditional Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(8-quinolylsulfonyl)-4-piperidyl]-2-pyrazolin-3-one Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NN(C1=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC(=C(C=C5)OC)OC)C

Isomeric SMILES

CC1(C(=NN(C1=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC(=C(C=C5)OC)OC)C

InChI

InChI=1S/C27H30N4O5S/c1-27(2)25(19-10-11-21(35-3)22(17-19)36-4)29-31(26(27)32)20-12-15-30(16-13-20)37(33,34)23-9-5-7-18-8-6-14-28-24(18)23/h5-11,14,17,20H,12-13,15-16H2,1-4H3