methyl 3-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-4-methyl-benzoate CAS Name: 3-[[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-4-methylbenzoate Traditional Name: 3-[(4-esyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-4-methyl-benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C20H22N2O6S/c1-4-29(25,26)22-12-18(28-17-8-6-5-7-16(17)22)19(23)21-15-11-14(20(24)27-3)10-9-13(15)2/h5-11,18H,4,12H2,1-3H3,(H,21,23)