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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C21H29N3O4S/c1-4-5-7-17-9-11-19(12-10-17)22-21(25)18-8-6-13-24(14-18)29(26,27)20-15(2)23-28-16(20)3/h9-12,18H,4-8,13-14H2,1-3H3,(H,22,25)