[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCC3)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCC3)C

InChI

InChI=1S/C22H32N2O5S/c1-16-12-17(2)14-24(13-16)30(27,28)20-10-8-18(9-11-20)22(26)29-15-21(25)23-19-6-4-3-5-7-19/h8-11,16-17,19H,3-7,12-15H2,1-2H3,(H,23,25)