4-pyrrolidin-1-ylsulfonyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 4-pyrrolidin-1-ylsulfonyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 4-pyrrolidin-1-ylsulfonyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-pyrrolidin-1-ylsulfonyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 4-pyrrolidinosulfonyl-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(CCN(C4)C(=O)C5=CC=CS5)C=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(CCN(C4)C(=O)C5=CC=CS5)C=C3

InChI

InChI=1S/C25H25N3O4S2/c29-24(19-6-9-22(10-7-19)34(31,32)28-12-1-2-13-28)26-21-8-5-18-11-14-27(17-20(18)16-21)25(30)23-4-3-15-33-23/h3-10,15-16H,1-2,11-14,17H2,(H,26,29)