methyl 4-[[methyl-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoyl]amino]methyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O5S2/c1-22(15-16-6-8-17(9-7-16)21(25)28-2)19(24)14-18-10-11-20(29-18)30(26,27)23-12-4-3-5-13-23/h6-11H,3-5,12-15H2,1-2H3