2-methoxy-5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]ethanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]ethanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-[methyl(2-thienylsulfonyl)amino]acetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-[methyl(thiophen-2-ylsulfonyl)amino]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-[methyl(2-thienylsulfonyl)amino]acetyl]amino]methyl]benzoic acid Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CN(CC(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H18N2O6S2/c1-18(26(22,23)15-4-3-7-25-15)10-14(19)17-9-11-5-6-13(24-2)12(8-11)16(20)21/h3-8H,9-10H2,1-2H3,(H,17,19)(H,20,21)