N-[4-(phenylmethyl)-4-pyrrolidin-1-yl-cyclohexyl]-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: N-[4-(phenylmethyl)-4-pyrrolidin-1-yl-cyclohexyl]-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-(4-benzyl-4-pyrrolidin-1-yl-cyclohexyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-[4-(phenylmethyl)-4-(1-pyrrolidinyl)cyclohexyl]-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-(4-benzyl-4-pyrrolidin-1-ylcyclohexyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-(4-benzyl-4-pyrrolidino-cyclohexyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C28H34F3N3O3S MolecularWeight: 549.64807

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2(CCC(CC2)NS(=O)(=O)C3=CC4=C(CCN(C4)C(=O)C(F)(F)F)C=C3)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2(CCC(CC2)NS(=O)(=O)C3=CC4=C(CCN(C4)C(=O)C(F)(F)F)C=C3)CC5=CC=CC=C5

InChI

InChI=1S/C28H34F3N3O3S/c29-28(30,31)26(35)33-17-12-22-8-9-25(18-23(22)20-33)38(36,37)32-24-10-13-27(14-11-24,34-15-4-5-16-34)19-21-6-2-1-3-7-21/h1-3,6-9,18,24,32H,4-5,10-17,19-20H2