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

Systemtic Name: methyl 3-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C16H17ClN2O5S2 MolecularWeight: 416.89958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O5S2/c1-10-4-5-11(16(21)24-3)8-12(10)18-14(20)9-19(2)26(22,23)15-7-6-13(17)25-15/h4-8H,9H2,1-3H3,(H,18,20)