[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C23H25N3O6S/c1-25(13-6-12-24)22(27)16-32-23(28)18-10-11-20(31-2)21(15-18)33(29,30)26-14-5-8-17-7-3-4-9-19(17)26/h3-4,7,9-11,15H,5-6,8,13-14,16H2,1-2H3