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

Systemtic Name: 4-ethyl-N-isoquinolin-5-yl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-ethyl-N-(5-isoquinolyl)-3-morpholinosulfonyl-benzamide CAS Name: 4-ethyl-N-(5-isoquinolinyl)-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-ethyl-N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-ethyl-N-(5-isoquinolyl)-3-morpholinosulfonyl-benzamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H23N3O4S/c1-2-16-6-7-17(14-21(16)30(27,28)25-10-12-29-13-11-25)22(26)24-20-5-3-4-18-15-23-9-8-19(18)20/h3-9,14-15H,2,10-13H2,1H3,(H,24,26)