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

Systemtic Name: N-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-N-butyl-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-butyl-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide Traditional Name: N-benzyl-N-butyl-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-isonipecotamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C22H31N3O4S/c1-4-5-13-24(16-19-9-7-6-8-10-19)22(26)20-11-14-25(15-12-20)30(27,28)21-17(2)23-29-18(21)3/h6-10,20H,4-5,11-16H2,1-3H3