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

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-(3-chloro-4-methyl-anilino)-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)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)Cl

InChI

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