(3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-1-(3-methyl-3-sulfanyl-butanoyl)piperidine-4-carboxylate

Systemtic Name: (3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-1-(3-methyl-3-sulfanyl-butanoyl)piperidine-4-carboxylate Openeye Name: (3-isopropylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-1-(3-methyl-3-sulfanyl-butanoyl)piperidine-4-carboxylate CAS Name: 4-(2-dimethylaminoethyloxy)-1-(3-mercapto-3-methyl-1-oxobutyl)-2-methyl-4-piperidinecarboxylic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-1-(3-methyl-3-sulfanylbutanoyl)piperidine-4-carboxylate Traditional Name: 4-(2-dimethylaminoethyloxy)-1-(3-mercapto-3-methyl-butanoyl)-2-methyl-isonipecotic acid m-cumenyl ester Formula: C25H40N2O4S MolecularWeight: 464.6611

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1C(=O)CC(C)(C)S)(C(=O)OC2=CC=CC(=C2)C(C)C)OCCN(C)C

Isomeric SMILES

CC1CC(CCN1C(=O)CC(C)(C)S)(C(=O)OC2=CC=CC(=C2)C(C)C)OCCN(C)C

InChI

InChI=1S/C25H40N2O4S/c1-18(2)20-9-8-10-21(15-20)31-23(29)25(30-14-13-26(6)7)11-12-27(19(3)16-25)22(28)17-24(4,5)32/h8-10,15,18-19,32H,11-14,16-17H2,1-7H3