[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O5S/c1-17-9-3-4-10-18(17)15-23-21(25)16-29-22(26)19-11-5-6-12-20(19)30(27,28)24-13-7-2-8-14-24/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,23,25)