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

Systemtic Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-17(2)24(29)26-14-11-18-5-8-21(15-20(18)16-26)25-23(28)19-6-9-22(10-7-19)32(30,31)27-12-3-4-13-27/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,25,28)