[2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-keto-2-[3-(2-ketopyrrolidino)propylamino]ethyl] ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H29N3O6S/c29-23(26-12-5-14-27-13-4-10-24(27)30)18-34-25(31)20-8-3-9-22(16-20)35(32,33)28-15-11-19-6-1-2-7-21(19)17-28/h1-3,6-9,16H,4-5,10-15,17-18H2,(H,26,29)