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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C28H30N4O5S3 MolecularWeight: 598.7566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=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=C(C=C2)S(=O)(=O)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

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