N-(5-chloranyl-2-methyl-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C)C

InChI

InChI=1S/C21H25ClN2O3S/c1-14-5-7-19(12-16(14)3)28(26,27)24-10-8-17(9-11-24)21(25)23-20-13-18(22)6-4-15(20)2/h4-7,12-13,17H,8-11H2,1-3H3,(H,23,25)