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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-chloro-4-methylphenyl)-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-4-methylphenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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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=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-3-28-17-5-7-18(8-6-17)29(26,27)24-12-10-16(11-13-24)21(25)23-20-9-4-15(2)14-19(20)22/h4-9,14,16H,3,10-13H2,1-2H3,(H,23,25)