5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]thiophene-3-carboxamide

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]thiophene-3-carboxamide Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-thiophenecarboxamide IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-ketopyrrolidino)propyl]thiophene-3-carboxamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S2/c25-19-7-3-10-23(19)11-4-9-22-21(26)18-13-20(29-15-18)30(27,28)24-12-8-16-5-1-2-6-17(16)14-24/h1-2,5-6,13,15H,3-4,7-12,14H2,(H,22,26)