methyl 4-[[2-oxidanylidene-2-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethylamino]ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-oxidanylidene-2-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethylamino]ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-oxo-2-[2-[1-(2-thienylsulfonyl)-2-piperidyl]ethylamino]acetyl]amino]benzoate CAS Name: 4-[[1,2-dioxo-2-[2-(1-thiophen-2-ylsulfonyl-2-piperidinyl)ethylamino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[2-[1-(2-thienylsulfonyl)-2-piperidyl]ethylamino]acetyl]amino]benzoic acid methyl ester Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O6S2/c1-30-21(27)15-7-9-16(10-8-15)23-20(26)19(25)22-12-11-17-5-2-3-13-24(17)32(28,29)18-6-4-14-31-18/h4,6-10,14,17H,2-3,5,11-13H2,1H3,(H,22,25)(H,23,26)