3,4-dimethyl-5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoate

Systemtic Name: 3,4-dimethyl-5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoate Openeye Name: 3,4-dimethyl-5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoate CAS Name: 3,4-dimethyl-5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoate IUPAC Name: 3,4-dimethyl-5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoate Traditional Name: 3,4-dimethyl-5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoate Formula: C19H20NO4S- MolecularWeight: 358.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1S(=O)(=O)C3=CC(=CC(=C3C)C)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1S(=O)(=O)C3=CC(=CC(=C3C)C)C(=O)[O-]

InChI

InChI=1S/C19H21NO4S/c1-12-10-16(19(21)22)11-18(14(12)3)25(23,24)20-13(2)8-9-15-6-4-5-7-17(15)20/h4-7,10-11,13H,8-9H2,1-3H3,(H,21,22)/p-1/t13-/m0/s1