N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O4S/c1-15-4-5-16(2)20(14-15)22-21(24)17-10-12-23(13-11-17)28(25,26)19-8-6-18(27-3)7-9-19/h4-9,14,17H,10-13H2,1-3H3,(H,22,24)