methyl 4-chloranyl-3-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]amino]benzoate CAS Name: 4-chloro-3-[[[3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-chloro-3-[[3-(3,5-dimethylpiperidino)sulfonylbenzoyl]amino]benzoic acid methyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl)C

InChI

InChI=1S/C22H25ClN2O5S/c1-14-9-15(2)13-25(12-14)31(28,29)18-6-4-5-16(10-18)21(26)24-20-11-17(22(27)30-3)7-8-19(20)23/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,24,26)