[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H20BrNO7S MolecularWeight: 498.3443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)Br

InChI

InChI=1S/C20H20BrNO7S/c1-13-10-14(2-4-16(13)21)22-19(23)12-29-20(24)6-9-30(25,26)15-3-5-17-18(11-15)28-8-7-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,22,23)