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

Systemtic Name: methyl 2-[4-(phenylmethyl)sulfonylbutanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-(4-benzylsulfonylbutanoylamino)thiophene-3-carboxylate CAS Name: 2-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylsulfonylbutanoylamino)thiophene-3-carboxylate Traditional Name: 2-(4-benzylsulfonylbutanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H19NO5S2/c1-23-17(20)14-9-10-24-16(14)18-15(19)8-5-11-25(21,22)12-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,18,19)