N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H19N3O4S3 MolecularWeight: 485.59896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H19N3O4S3/c1-29-16-8-9-17-19(12-16)31-22(23-17)24-21(26)18-11-14-5-2-3-6-15(14)13-25(18)32(27,28)20-7-4-10-30-20/h2-10,12,18H,11,13H2,1H3,(H,23,24,26)