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

Systemtic Name: ethyl 4-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[1,3-benzodioxol-5-yl(esyl)amino]acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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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)CC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-4-28-21(25)15-6-8-17(14(3)10-15)22-20(24)12-23(31(26,27)5-2)16-7-9-18-19(11-16)30-13-29-18/h6-11H,4-5,12-13H2,1-3H3,(H,22,24)