3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-[(2-ketopyrrolidino)methyl]phenyl]thiophene-2-carboxamide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC(=CC=C2)NC(=O)C3=C(C=CS3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC(=CC=C2)NC(=O)C3=C(C=CS3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H25N3O4S2/c29-23-9-4-12-27(23)16-18-5-3-8-21(15-18)26-25(30)24-22(11-14-33-24)34(31,32)28-13-10-19-6-1-2-7-20(19)17-28/h1-3,5-8,11,14-15H,4,9-10,12-13,16-17H2,(H,26,30)