2-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]-3,4,5-trimethoxy-benzoic acid

Systemtic Name: 2-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]-3,4,5-trimethoxy-benzoic acid Openeye Name: 2-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]-3,4,5-trimethoxy-benzoic acid CAS Name: 2-[[2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-3,4,5-trimethoxybenzoic acid IUPAC Name: 2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-3,4,5-trimethoxybenzoic acid Traditional Name: 2-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]-3,4,5-trimethoxy-benzoic acid Formula: C17H19ClN2O8S2 MolecularWeight: 478.92436

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C(=C(C=C1C(=O)O)OC)OC)OC)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CN(CC(=O)NC1=C(C(=C(C=C1C(=O)O)OC)OC)OC)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C17H19ClN2O8S2/c1-20(30(24,25)13-6-5-11(18)29-13)8-12(21)19-14-9(17(22)23)7-10(26-2)15(27-3)16(14)28-4/h5-7H,8H2,1-4H3,(H,19,21)(H,22,23)