[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCC3=CCCCC3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C22H30N2O5S/c25-21(23-14-13-18-9-3-1-4-10-18)17-29-22(26)19-11-5-6-12-20(19)30(27,28)24-15-7-2-8-16-24/h5-6,9,11-12H,1-4,7-8,10,13-17H2,(H,23,25)