[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C24H30N2O6S/c1-17-10-11-21(33(29,30)26-12-5-4-7-18(26)2)14-22(17)24(28)32-16-23(27)25-15-19-8-6-9-20(13-19)31-3/h6,8-11,13-14,18H,4-5,7,12,15-16H2,1-3H3,(H,25,27)