[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl] ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1CCC2=CC=CC=C2N1C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C25H30N2O5S/c1-18-10-13-21(33(30,31)26-14-6-3-7-15-26)16-22(18)25(29)32-17-24(28)27-19(2)11-12-20-8-4-5-9-23(20)27/h4-5,8-10,13,16,19H,3,6-7,11-12,14-15,17H2,1-2H3