N-(3-cyanophenyl)-2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanamide Openeye Name: N-(3-cyanophenyl)-2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide CAS Name: N-(3-cyanophenyl)-2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide Traditional Name: N-(3-cyanophenyl)-2-(2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H25N3O4S/c1-2-33-22-10-12-23(13-11-22)34(31,32)29-15-14-20-7-3-4-9-24(20)25(29)17-26(30)28-21-8-5-6-19(16-21)18-27/h3-13,16,25H,2,14-15,17H2,1H3,(H,28,30)