N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H22FN3O3S2 MolecularWeight: 495.588883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=C(C=C5)F)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=C(C=C5)F)C#N

InChI

InChI=1S/C25H22FN3O3S2/c26-18-9-11-19(12-10-18)34(31,32)29-15-17-6-2-1-5-16(17)13-22(29)24(30)28-25-21(14-27)20-7-3-4-8-23(20)33-25/h1-2,5-6,9-12,22H,3-4,7-8,13,15H2,(H,28,30)