butyl 4-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[5-(1-piperidylsulfonyl)-2-thienyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-piperidinosulfonyl-2-thienyl)acetyl]amino]benzoic acid butyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H28N2O5S2/c1-2-3-15-29-22(26)17-7-9-18(10-8-17)23-20(25)16-19-11-12-21(30-19)31(27,28)24-13-5-4-6-14-24/h7-12H,2-6,13-16H2,1H3,(H,23,25)