ethyl 4-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[1,3-benzodioxol-5-yl(mesyl)amino]acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C

InChI

InChI=1S/C20H22N2O7S/c1-4-27-20(24)14-5-7-16(13(2)9-14)21-19(23)11-22(30(3,25)26)15-6-8-17-18(10-15)29-12-28-17/h5-10H,4,11-12H2,1-3H3,(H,21,23)