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

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C21H25ClN2O6S2 MolecularWeight: 501.016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H25ClN2O6S2/c1-3-30-16-4-6-17(7-5-16)32(28,29)24-12-10-15(11-13-24)21(25)23-20-14-18(31(2,26)27)8-9-19(20)22/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25)