methyl 2-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[4-(p-tolylsulfonyl)butanoylamino]thiophene-3-carboxylate CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate Traditional Name: 2-(4-tosylbutanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=C(C=CS2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=C(C=CS2)C(=O)OC

InChI

InChI=1S/C17H19NO5S2/c1-12-5-7-13(8-6-12)25(21,22)11-3-4-15(19)18-16-14(9-10-24-16)17(20)23-2/h5-10H,3-4,11H2,1-2H3,(H,18,19)