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

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-chloro-2-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-2-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-isonipecotamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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