2-(4-ethoxyphenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-ethoxyphenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-ethoxyphenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-ethoxyphenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C32H29N3O4S2 MolecularWeight: 583.72036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)C5=NC6=C(S5)C=C(C=C6)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)C5=NC6=C(S5)C=C(C=C6)C

InChI

InChI=1S/C32H29N3O4S2/c1-3-39-26-13-15-27(16-14-26)41(37,38)35-20-24-7-5-4-6-23(24)19-29(35)31(36)33-25-11-9-22(10-12-25)32-34-28-17-8-21(2)18-30(28)40-32/h4-18,29H,3,19-20H2,1-2H3,(H,33,36)