2-(4-fluorophenyl)sulfonyl-N-(1-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-N-(1-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-fluorophenyl)sulfonyl-N-[1-(methoxymethyl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-fluorophenyl)sulfonyl-N-(1-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-fluorophenyl)sulfonyl-N-(1-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-fluorophenyl)sulfonyl-N-[1-(methoxymethyl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(COC)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-3-18(14-28-2)23-21(25)20-12-15-6-4-5-7-16(15)13-24(20)29(26,27)19-10-8-17(22)9-11-19/h4-11,18,20H,3,12-14H2,1-2H3,(H,23,25)