N-(5-chloranyl-2-methyl-phenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-chloro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-isonipecotamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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