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

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-methoxyphenyl)sulfonyl-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methoxyphenyl)sulfonyl-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-methoxyphenyl)sulfonyl-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c1-31-22-11-13-23(14-12-22)32(29,30)27-18-21-10-6-5-9-20(21)17-24(27)25(28)26-16-15-19-7-3-2-4-8-19/h2-14,24H,15-18H2,1H3,(H,26,28)