N-isoquinolin-5-yl-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-isoquinolin-5-yl-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-isoquinolyl)-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(5-isoquinolinyl)-4-methyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-isoquinolin-5-yl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(5-isoquinolyl)-4-methyl-3-pyrrolidinosulfonyl-benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O3S/c1-15-7-8-16(13-20(15)28(26,27)24-11-2-3-12-24)21(25)23-19-6-4-5-17-14-22-10-9-18(17)19/h4-10,13-14H,2-3,11-12H2,1H3,(H,23,25)