N-(3-chloranyl-2-methyl-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-2-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(=CC=C3)Cl)C

Isomeric SMILES

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

InChI

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