N-isoquinolin-5-yl-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-isoquinolin-5-yl-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(5-isoquinolyl)-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-(5-isoquinolinyl)-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-isoquinolin-5-yl-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(5-isoquinolyl)-2-methyl-5-morpholinosulfonyl-benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

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