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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H18N2O6S2/c20-16(18-10-12-1-3-13(4-2-12)17(21)22)15-9-14(11-26-15)27(23,24)19-5-7-25-8-6-19/h1-4,9,11H,5-8,10H2,(H,18,20)(H,21,22)