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

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-pyridinylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H23N3O4S/c1-30-20-8-10-21(11-9-20)31(28,29)26-16-19-7-3-2-6-18(19)13-22(26)23(27)25-15-17-5-4-12-24-14-17/h2-12,14,22H,13,15-16H2,1H3,(H,25,27)