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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-isonipecotamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-14-4-6-19(29-3)20(12-14)30(26,27)24-10-8-15(9-11-24)21(25)23-17-13-16(22)5-7-18(17)28-2/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,25)