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

Systemtic Name: 4-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]-3-methyl-benzoic acid Formula: C15H15ClN2O5S2 MolecularWeight: 402.873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C15H15ClN2O5S2/c1-9-7-10(15(20)21)3-4-11(9)17-13(19)8-18(2)25(22,23)14-6-5-12(16)24-14/h3-7H,8H2,1-2H3,(H,17,19)(H,20,21)