[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H29N3O5S/c1-25(2)33(30,31)20-9-10-22(26-12-5-6-13-26)21(15-20)24(29)32-17-23(28)27-14-11-18-7-3-4-8-19(18)16-27/h3-4,7-10,15H,5-6,11-14,16-17H2,1-2H3