methyl 3-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoate Openeye Name: methyl 3-[[3-(1-piperidylsulfonyl)thiophene-2-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoate Traditional Name: 3-[(3-piperidinosulfonylthiophene-2-carbonyl)amino]benzoic acid methyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H20N2O5S2/c1-25-18(22)13-6-5-7-14(12-13)19-17(21)16-15(8-11-26-16)27(23,24)20-9-3-2-4-10-20/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,21)