[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl] ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CC=C3S(=O)(=O)N4CCCCC4

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CC=C3S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H28N2O5S/c1-18-13-14-19-9-3-5-11-21(19)26(18)23(27)17-31-24(28)20-10-4-6-12-22(20)32(29,30)25-15-7-2-8-16-25/h3-6,9-12,18H,2,7-8,13-17H2,1H3/t18-/m0/s1