1,2-dihydropyridin-4-yl 4,5-bis(bromanyl)-2-methyl-6-oxidanylidene-1-(phenylmethyl)cyclohexa-2,4-diene-1-sulfonate

Systemtic Name: 1,2-dihydropyridin-4-yl 4,5-bis(bromanyl)-2-methyl-6-oxidanylidene-1-(phenylmethyl)cyclohexa-2,4-diene-1-sulfonate Openeye Name: 1,2-dihydropyridin-4-yl 1-benzyl-4,5-dibromo-2-methyl-6-oxo-cyclohexa-2,4-diene-1-sulfonate CAS Name: 4,5-dibromo-2-methyl-6-oxo-1-(phenylmethyl)-1-cyclohexa-2,4-dienesulfonic acid 1,2-dihydropyridin-4-yl ester IUPAC Name: 1,2-dihydropyridin-4-yl 1-benzyl-4,5-dibromo-2-methyl-6-oxocyclohexa-2,4-diene-1-sulfonate Traditional Name: 1-benzyl-4,5-dibromo-6-keto-2-methyl-cyclohexa-2,4-diene-1-sulfonic acid 1,2-dihydropyridin-4-yl ester Formula: C19H17Br2NO4S MolecularWeight: 515.21558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)C1(CC2=CC=CC=C2)S(=O)(=O)OC3=CCNC=C3)Br)Br

Isomeric SMILES

CC1=CC(=C(C(=O)C1(CC2=CC=CC=C2)S(=O)(=O)OC3=CCNC=C3)Br)Br

InChI

InChI=1S/C19H17Br2NO4S/c1-13-11-16(20)17(21)18(23)19(13,12-14-5-3-2-4-6-14)27(24,25)26-15-7-9-22-10-8-15/h2-9,11,22H,10,12H2,1H3