methyl 4-[4-[methyl(thiophen-2-ylsulfonyl)amino]butanoylamino]benzoate

Systemtic Name: methyl 4-[4-[methyl(thiophen-2-ylsulfonyl)amino]butanoylamino]benzoate Openeye Name: methyl 4-[4-[methyl(2-thienylsulfonyl)amino]butanoylamino]benzoate CAS Name: 4-[[4-[methyl(thiophen-2-ylsulfonyl)amino]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[methyl(thiophen-2-ylsulfonyl)amino]butanoylamino]benzoate Traditional Name: 4-[4-[methyl(2-thienylsulfonyl)amino]butanoylamino]benzoic acid methyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CN(CCCC(=O)NC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H20N2O5S2/c1-19(26(22,23)16-6-4-12-25-16)11-3-5-15(20)18-14-9-7-13(8-10-14)17(21)24-2/h4,6-10,12H,3,5,11H2,1-2H3,(H,18,20)