methyl 4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]butanoate Traditional Name: 4-[[2-[4-(2-thienylsulfonyl)piperazino]acetyl]amino]butyric acid methyl ester Formula: C15H23N3O5S2 MolecularWeight: 389.49022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)CCCNC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C15H23N3O5S2/c1-23-14(20)4-2-6-16-13(19)12-17-7-9-18(10-8-17)25(21,22)15-5-3-11-24-15/h3,5,11H,2,4,6-10,12H2,1H3,(H,16,19)