[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [1-methyl-2-(3-methylanilino)-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 [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7S/c1-14-4-3-5-16(12-14)22-21(24)15(2)29-20(23)8-11-30(25,26)17-6-7-18-19(13-17)28-10-9-27-18/h3-7,12-13,15H,8-11H2,1-2H3,(H,22,24)