methyl 4-[2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[4-chloro-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[4-chloro-3-(1-piperidinylsulfonyl)anilino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-chloro-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]benzoate Traditional Name: 4-[2-(4-chloro-3-piperidinosulfonyl-anilino)-2-keto-ethoxy]benzoic acid methyl ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O6S/c1-29-21(26)15-5-8-17(9-6-15)30-14-20(25)23-16-7-10-18(22)19(13-16)31(27,28)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,25)