N-(3-chloranyl-4-cyano-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-cyanophenyl)-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4S/c1-2-29-18-5-7-19(8-6-18)30(27,28)25-11-9-15(10-12-25)21(26)24-17-4-3-16(14-23)20(22)13-17/h3-8,13,15H,2,9-12H2,1H3,(H,24,26)