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

Systemtic Name: N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-16(26)24-13-10-17-4-7-20(14-19(17)15-24)23-22(27)18-5-8-21(9-6-18)30(28,29)25-11-2-3-12-25/h4-9,14H,2-3,10-13,15H2,1H3,(H,23,27)