[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-methoxy-5-sulfamoyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-methoxy-5-sulfamoyl-benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 2-methoxy-5-sulfamoyl-benzoate CAS Name: 2-methoxy-5-sulfamoylbenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate Traditional Name: 2-methoxy-5-sulfamoyl-benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O6S/c1-29-20-8-7-18(31(23,27)28)14-19(20)22(26)30-15-21(25)24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3,(H2,23,27,28)