[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-methoxy-benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-methoxybenzoic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonyl-4-methoxy-benzoic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C22H34N2O6S MolecularWeight: 454.58016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC(C)C(C)C)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC(C)C(C)C)OC)C

InChI

InChI=1S/C22H34N2O6S/c1-14(2)17(5)23-21(25)13-30-22(26)18-7-8-19(29-6)20(10-18)31(27,28)24-11-15(3)9-16(4)12-24/h7-8,10,14-17H,9,11-13H2,1-6H3,(H,23,25)