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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C28H30N4O5S3 MolecularWeight: 598.7566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H30N4O5S3/c1-30(2)17-18-32(28-29-26-24(38-28)9-6-10-25(26)39(3,34)35)27(33)21-11-13-23(14-12-21)40(36,37)31-16-15-20-7-4-5-8-22(20)19-31/h4-14H,15-19H2,1-3H3