5-[[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C16H17ClN2O6S2 MolecularWeight: 432.89898

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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=C(S2)Cl

Isomeric SMILES

CN(CC(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C16H17ClN2O6S2/c1-19(27(23,24)15-6-5-13(17)26-15)9-14(20)18-8-10-3-4-12(25-2)11(7-10)16(21)22/h3-7H,8-9H2,1-2H3,(H,18,20)(H,21,22)