4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H21N3O4S2/c1-30(27,28)16-6-7-17-18(12-16)29-21(22-17)23-19(25)8-9-20(26)24-11-10-14-4-2-3-5-15(14)13-24/h2-7,12H,8-11,13H2,1H3,(H,22,23,25)