4-[[cyclopropyl(isoquinolin-5-ylsulfonyl)amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[cyclopropyl(isoquinolin-5-ylsulfonyl)amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[cyclopropyl(5-isoquinolylsulfonyl)amino]methyl]-N-methyl-benzamide CAS Name: 4-[[cyclopropyl(5-isoquinolinylsulfonyl)amino]methyl]-N-methylbenzamide IUPAC Name: 4-[[cyclopropyl(isoquinolin-5-ylsulfonyl)amino]methyl]-N-methylbenzamide Traditional Name: 4-[[cyclopropyl(5-isoquinolylsulfonyl)amino]methyl]-N-methyl-benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H21N3O3S/c1-22-21(25)16-7-5-15(6-8-16)14-24(18-9-10-18)28(26,27)20-4-2-3-17-13-23-12-11-19(17)20/h2-8,11-13,18H,9-10,14H2,1H3,(H,22,25)