N-isoquinolin-5-yl-4-methyl-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-isoquinolin-5-yl-4-methyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(5-isoquinolyl)-4-methyl-3-morpholinosulfonyl-benzamide CAS Name: N-(5-isoquinolinyl)-4-methyl-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-isoquinolin-5-yl-4-methyl-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(5-isoquinolyl)-4-methyl-3-morpholinosulfonyl-benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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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)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21N3O4S/c1-15-5-6-16(13-20(15)29(26,27)24-9-11-28-12-10-24)21(25)23-19-4-2-3-17-14-22-8-7-18(17)19/h2-8,13-14H,9-12H2,1H3,(H,23,25)