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

Systemtic Name: [2-[[2,3-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2,3-dichloroanilino)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dichloroanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(2,3-dichloroanilino)-2-keto-ethyl] ester Formula: C21H22Cl2N2O5S MolecularWeight: 485.38078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C(=CC=C2)Cl)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C(=CC=C2)Cl)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22Cl2N2O5S/c1-14-8-9-15(12-18(14)31(28,29)25-10-3-2-4-11-25)21(27)30-13-19(26)24-17-7-5-6-16(22)20(17)23/h5-9,12H,2-4,10-11,13H2,1H3,(H,24,26)