methyl 5-[4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-2-carboxylate CAS Name: 5-[[4-[(4-acetylphenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]thiophene-2-carboxylate Traditional Name: 5-[4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC=C(S2)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC=C(S2)C(=O)OC

InChI

InChI=1S/C19H22N2O6S2/c1-13(22)14-6-8-15(9-7-14)29(25,26)21(2)12-4-5-17(23)20-18-11-10-16(28-18)19(24)27-3/h6-11H,4-5,12H2,1-3H3,(H,20,23)