2-(2,5-dimethoxyphenyl)sulfonyl-N-[(2S)-2-phenylmethoxycyclopentyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-[(2S)-2-phenylmethoxycyclopentyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(2S)-2-benzyloxycyclopentyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-[(2S)-2-phenylmethoxycyclopentyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-[(2S)-2-phenylmethoxycyclopentyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[(2S)-2-benzoxycyclopentyl]-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C30H34N2O6S MolecularWeight: 550.66576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4CCCC4OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4CCC[C@@H]4OCC5=CC=CC=C5

InChI

InChI=1S/C30H34N2O6S/c1-36-24-15-16-28(37-2)29(18-24)39(34,35)32-19-23-12-7-6-11-22(23)17-26(32)30(33)31-25-13-8-14-27(25)38-20-21-9-4-3-5-10-21/h3-7,9-12,15-16,18,25-27H,8,13-14,17,19-20H2,1-2H3,(H,31,33)/t25?,26?,27-/m0/s1