N-(4-tert-butylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide Openeye Name: N-(4-tert-butylphenyl)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-tert-butylphenyl)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-tert-butylphenyl)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-isonipecotamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H29N3O4S/c1-14-19(15(2)28-23-14)29(26,27)24-12-10-16(11-13-24)20(25)22-18-8-6-17(7-9-18)21(3,4)5/h6-9,16H,10-13H2,1-5H3,(H,22,25)