4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)benzamide Formula: C30H32N4O6S3 MolecularWeight: 640.79328

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C30H32N4O6S3/c1-42(36,37)26-10-11-27-28(20-26)41-30(31-27)34(15-14-32-16-18-40-19-17-32)29(35)23-6-8-25(9-7-23)43(38,39)33-13-12-22-4-2-3-5-24(22)21-33/h2-11,20H,12-19,21H2,1H3