(2-ethoxyphenyl) 3-[(2,6-dimethylpiperidin-1-yl)carbamoyl]benzenesulfonate

Systemtic Name: (2-ethoxyphenyl) 3-[(2,6-dimethylpiperidin-1-yl)carbamoyl]benzenesulfonate Openeye Name: (2-ethoxyphenyl) 3-[(2,6-dimethyl-1-piperidyl)carbamoyl]benzenesulfonate CAS Name: 3-[[(2,6-dimethyl-1-piperidinyl)amino]-oxomethyl]benzenesulfonic acid (2-ethoxyphenyl) ester IUPAC Name: (2-ethoxyphenyl) 3-[(2,6-dimethylpiperidin-1-yl)carbamoyl]benzenesulfonate Traditional Name: 3-[(2,6-dimethylpiperidino)carbamoyl]benzenesulfonic acid o-phenetyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)NN3C(CCCC3C)C

Isomeric SMILES

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)NN3C(CCCC3C)C

InChI

InChI=1S/C22H28N2O5S/c1-4-28-20-13-5-6-14-21(20)29-30(26,27)19-12-8-11-18(15-19)22(25)23-24-16(2)9-7-10-17(24)3/h5-6,8,11-17H,4,7,9-10H2,1-3H3,(H,23,25)