2-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-ethoxyphenyl)sulfonyl-N-(2-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-ethoxyphenyl)sulfonyl-N-(2-pyridinylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-p-phenetylsulfonyl-N-(2-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C24H25N3O4S/c1-2-31-21-10-12-22(13-11-21)32(29,30)27-17-19-8-4-3-7-18(19)15-23(27)24(28)26-16-20-9-5-6-14-25-20/h3-14,23H,2,15-17H2,1H3,(H,26,28)