[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C21H24N2O5S/c1-29(26,27)19-7-5-6-16(14-19)21(25)28-15-20(24)22-17-8-10-18(11-9-17)23-12-3-2-4-13-23/h5-11,14H,2-4,12-13,15H2,1H3,(H,22,24)