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

Systemtic Name: methyl 4-[2-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-[5-(1-piperidylsulfonyl)-2-thienyl]acetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[1-oxo-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]ethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(5-piperidinosulfonyl-2-thienyl)acetyl]amino]ethyl]benzoic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O5S2/c1-28-21(25)17-7-5-16(6-8-17)11-12-22-19(24)15-18-9-10-20(29-18)30(26,27)23-13-3-2-4-14-23/h5-10H,2-4,11-15H2,1H3,(H,22,24)