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

Systemtic Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S2/c1-2-15-32(28,29)26-14-11-18-5-8-21(16-20(18)17-26)24-23(27)19-6-9-22(10-7-19)33(30,31)25-12-3-4-13-25/h5-10,16H,2-4,11-15,17H2,1H3,(H,24,27)