N-(4-ethoxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-ethoxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-ethoxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-ethoxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-p-phenetyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

InChI

InChI=1S/C20H24N2O4S/c1-3-26-18-11-9-17(10-12-18)21-20(23)19-13-15-7-5-6-8-16(15)14-22(19)27(24,25)4-2/h5-12,19H,3-4,13-14H2,1-2H3,(H,21,23)