2-methoxy-5-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-[methyl(tosyl)amino]acetyl]amino]methyl]benzoic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C19H22N2O6S/c1-13-4-7-15(8-5-13)28(25,26)21(2)12-18(22)20-11-14-6-9-17(27-3)16(10-14)19(23)24/h4-10H,11-12H2,1-3H3,(H,20,22)(H,23,24)