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

Systemtic Name: 1,2-dihydropyridin-4-yl 4-bromanyl-2-methyl-6-oxidanylidene-1-(phenylmethyl)cyclohexa-2,4-diene-1-sulfonate Openeye Name: 1,2-dihydropyridin-4-yl 1-benzyl-4-bromo-2-methyl-6-oxo-cyclohexa-2,4-diene-1-sulfonate CAS Name: 4-bromo-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-bromo-2-methyl-6-oxocyclohexa-2,4-diene-1-sulfonate Traditional Name: 1-benzyl-4-bromo-6-keto-2-methyl-cyclohexa-2,4-diene-1-sulfonic acid 1,2-dihydropyridin-4-yl ester Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO4S/c1-14-11-16(20)12-18(22)19(14,13-15-5-3-2-4-6-15)26(23,24)25-17-7-9-21-10-8-17/h2-9,11-12,21H,10,13H2,1H3