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

Systemtic Name: N-(1,2-diphenylethyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1,2-diphenylethyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(1,2-diphenylethyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1,2-diphenylethyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(1,2-diphenylethyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C30H27FN2O3S MolecularWeight: 514.610383

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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)NC(CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H27FN2O3S/c31-26-15-17-27(18-16-26)37(35,36)33-21-25-14-8-7-13-24(25)20-29(33)30(34)32-28(23-11-5-2-6-12-23)19-22-9-3-1-4-10-22/h1-18,28-29H,19-21H2,(H,32,34)