[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C21H23ClN2O7S2 MolecularWeight: 514.99952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O7S2/c1-32(27,28)16-7-5-15(6-8-16)21(26)31-14-20(25)23-19-13-17(9-10-18(19)22)33(29,30)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,25)