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

Systemtic Name: methyl 4-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylcarbamoyl]benzoate Openeye Name: methyl 4-[[5-(1-piperidylsulfonyl)-2-thienyl]methylcarbamoyl]benzoate CAS Name: 4-[oxo-[[5-(1-piperidinylsulfonyl)-2-thiophenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylcarbamoyl]benzoate Traditional Name: 4-[(5-piperidinosulfonyl-2-thienyl)methylcarbamoyl]benzoic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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