methyl 4-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-[[3-(1-piperidylsulfonyl)thiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-piperidinosulfonylthiophene-2-carbonyl)amino]benzoic acid methyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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