[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-3,5-bis(chloranyl)benzoate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-3,5-bis(chloranyl)benzoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-amino-3,5-dichloro-benzoate CAS Name: 2-amino-3,5-dichlorobenzoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate Traditional Name: 2-amino-3,5-dichloro-benzoic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C21H23Cl2N3O5S MolecularWeight: 500.39542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2N)Cl)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2N)Cl)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23Cl2N3O5S/c1-13-5-6-15(11-18(13)32(29,30)26-7-3-2-4-8-26)25-19(27)12-31-21(28)16-9-14(22)10-17(23)20(16)24/h5-6,9-11H,2-4,7-8,12,24H2,1H3,(H,25,27)