(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)NC(=O)CC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)NC(=O)CC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N2O6S/c1-28-18-8-4-15(13-19(18)30(26,27)23-10-2-3-11-23)21(25)29-16-6-7-17-14(12-16)5-9-20(24)22-17/h4,6-8,12-13H,2-3,5,9-11H2,1H3,(H,22,24)