ethyl 4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]ethanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(mesyl)amino]acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C)C

InChI

InChI=1S/C21H24N2O7S/c1-4-28-21(25)15-5-7-17(14(2)11-15)22-20(24)13-23(31(3,26)27)16-6-8-18-19(12-16)30-10-9-29-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,22,24)