methyl 3-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylcarbamoyl]benzoate Openeye Name: methyl 3-[[5-(1-piperidylsulfonyl)-2-thienyl]methylcarbamoyl]benzoate CAS Name: 3-[oxo-[[5-(1-piperidinylsulfonyl)-2-thiophenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylcarbamoyl]benzoate Traditional Name: 3-[(5-piperidinosulfonyl-2-thienyl)methylcarbamoyl]benzoic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N2O5S2/c1-26-19(23)15-7-5-6-14(12-15)18(22)20-13-16-8-9-17(27-16)28(24,25)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11,13H2,1H3,(H,20,22)