3-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]benzenesulfonamide; ethanoic acid

Systemtic Name: 3-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]benzenesulfonamide; ethanoic acid Openeye Name: acetic acid; 3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzenesulfonamide CAS Name: acetic acid; 3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzenesulfonamide IUPAC Name: acetic acid; 3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzenesulfonamide Traditional Name: acetic acid; 3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzenesulfonamide Formula: C18H20Cl2N2O4S MolecularWeight: 431.3334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN1CC(C2=CC(=CC(=C2C1)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC(=O)O.CN1CC(C2=CC(=CC(=C2C1)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C16H16Cl2N2O2S.C2H4O2/c1-20-8-14(10-3-2-4-12(5-10)23(19,21)22)13-6-11(17)7-16(18)15(13)9-20;1-2(3)4/h2-7,14H,8-9H2,1H3,(H2,19,21,22);1H3,(H,3,4)