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

Systemtic Name: ethyl 5-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanoylamino]-2-chloranyl-benzoate Openeye Name: ethyl 5-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-1-oxoethyl]amino]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 5-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-[1,3-benzodioxol-5-yl(esyl)amino]acetyl]amino]-2-chloro-benzoic acid ethyl ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O7S/c1-3-28-20(25)15-9-13(5-7-16(15)21)22-19(24)11-23(31(26,27)4-2)14-6-8-17-18(10-14)30-12-29-17/h5-10H,3-4,11-12H2,1-2H3,(H,22,24)