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

Systemtic Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27N3O4S/c1-2-22(27)25-14-11-17-5-8-20(15-19(17)16-25)24-23(28)18-6-9-21(10-7-18)31(29,30)26-12-3-4-13-26/h5-10,15H,2-4,11-14,16H2,1H3,(H,24,28)