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

Systemtic Name: N-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide Openeye Name: N-(4-bromophenyl)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-bromophenyl)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-bromophenyl)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-isonipecotamide Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O4S/c1-11-16(12(2)25-20-11)26(23,24)21-9-7-13(8-10-21)17(22)19-15-5-3-14(18)4-6-15/h3-6,13H,7-10H2,1-2H3,(H,19,22)