N-(2-chloranyl-5-methylsulfonyl-phenyl)-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-(2-chloro-5-methylsulfonyl-phenyl)piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-(2-chloro-5-methylsulfonylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-(2-chloro-5-methylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-(2-chloro-5-mesyl-phenyl)isonipecotamide Formula: C21H23ClN2O6S2 MolecularWeight: 499.00012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H23ClN2O6S2/c1-14(25)16-4-3-5-18(12-16)32(29,30)24-10-8-15(9-11-24)21(26)23-20-13-17(31(2,27)28)6-7-19(20)22/h3-7,12-13,15H,8-11H2,1-2H3,(H,23,26)