N-(4-acetamido-3-chloranyl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-acetamido-3-chlorophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4S/c1-3-29(27,28)24-12-15-7-5-4-6-14(15)10-19(24)20(26)23-16-8-9-18(17(21)11-16)22-13(2)25/h4-9,11,19H,3,10,12H2,1-2H3,(H,22,25)(H,23,26)