2-[methyl-(4-morpholin-4-ylsulfonylthiophen-2-yl)carbonyl-amino]benzoic acid

Systemtic Name: 2-[methyl-(4-morpholin-4-ylsulfonylthiophen-2-yl)carbonyl-amino]benzoic acid Openeye Name: 2-[methyl-(4-morpholinosulfonylthiophene-2-carbonyl)amino]benzoic acid CAS Name: 2-[methyl-[[4-(4-morpholinylsulfonyl)-2-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[methyl-(4-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid Traditional Name: 2-[methyl-(4-morpholinosulfonylthiophene-2-carbonyl)amino]benzoic acid Formula: C17H18N2O6S2 MolecularWeight: 410.46462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)C2=CC(=CS2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)C2=CC(=CS2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H18N2O6S2/c1-18(14-5-3-2-4-13(14)17(21)22)16(20)15-10-12(11-26-15)27(23,24)19-6-8-25-9-7-19/h2-5,10-11H,6-9H2,1H3,(H,21,22)