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

Systemtic Name: N-(4-acetamidophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-acetamidophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-acetamidophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-acetamidophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-acetamidophenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H23N3O4S/c1-3-28(26,27)23-13-16-7-5-4-6-15(16)12-19(23)20(25)22-18-10-8-17(9-11-18)21-14(2)24/h4-11,19H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)