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

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C21H24N2O7S2 MolecularWeight: 480.55446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S2/c1-31(26,27)18-9-5-16(6-10-18)21(25)30-15-20(24)22-17-7-11-19(12-8-17)32(28,29)23-13-3-2-4-14-23/h5-12H,2-4,13-15H2,1H3,(H,22,24)