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

Systemtic Name: 2-chloranyl-N-(2-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 2-chloro-N-(2-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 2-chloro-N-[2-(1-pyrrolidinylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-chloro-N-(2-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 2-chloro-N-(2-pyrrolidinosulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H22ClN3O3S/c21-19-6-2-1-5-18(19)20(25)22-17-8-7-15-9-12-24(14-16(15)13-17)28(26,27)23-10-3-4-11-23/h1-2,5-8,13H,3-4,9-12,14H2,(H,22,25)