N-(1,3-benzothiazol-2-yl)-N-ethyl-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-esyl-N-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)CC

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)CC

InChI

InChI=1S/C21H23N3O3S2/c1-3-23(21-22-17-11-7-8-12-19(17)28-21)20(25)18-13-15-9-5-6-10-16(15)14-24(18)29(26,27)4-2/h5-12,18H,3-4,13-14H2,1-2H3