2-(4-fluorophenyl)sulfonyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-fluorophenyl)sulfonyl-N-(3-thienylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-fluorophenyl)sulfonyl-N-(3-thiophenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-fluorophenyl)sulfonyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-fluorophenyl)sulfonyl-N-(3-thenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H19FN2O3S2 MolecularWeight: 430.515563

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCC4=CSC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCC4=CSC=C4

InChI

InChI=1S/C21H19FN2O3S2/c22-18-5-7-19(8-6-18)29(26,27)24-13-17-4-2-1-3-16(17)11-20(24)21(25)23-12-15-9-10-28-14-15/h1-10,14,20H,11-13H2,(H,23,25)