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

Systemtic Name: methyl 4-chloranyl-3-[[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]amino]benzoate Openeye Name: methyl 4-chloro-3-[[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]amino]benzoate CAS Name: 4-chloro-3-[[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-keto-2-(3-piperidinosulfonylanilino)ethyl]amino]benzoic acid methyl ester Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O5S/c1-30-21(27)15-8-9-18(22)19(12-15)23-14-20(26)24-16-6-5-7-17(13-16)31(28,29)25-10-3-2-4-11-25/h5-9,12-13,23H,2-4,10-11,14H2,1H3,(H,24,26)