2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(6-ethyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(6-ethyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide Formula: C28H29N3O4S2 MolecularWeight: 535.67756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3C4=CC=CC=C4CCN3S(=O)(=O)C5=CC=C(C=C5)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3C4=CC=CC=C4CCN3S(=O)(=O)C5=CC=C(C=C5)OCC

InChI

InChI=1S/C28H29N3O4S2/c1-3-19-9-14-24-26(17-19)36-28(29-24)30-27(32)18-25-23-8-6-5-7-20(23)15-16-31(25)37(33,34)22-12-10-21(11-13-22)35-4-2/h5-14,17,25H,3-4,15-16,18H2,1-2H3,(H,29,30,32)