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

Systemtic Name: methyl 3-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-1-oxoethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-[1,3-benzodioxol-5-yl(esyl)amino]acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C19H19ClN2O7S MolecularWeight: 454.88136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H19ClN2O7S/c1-3-30(25,26)22(13-5-7-16-17(9-13)29-11-28-16)10-18(23)21-15-8-12(19(24)27-2)4-6-14(15)20/h4-9H,3,10-11H2,1-2H3,(H,21,23)