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

Systemtic Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-phenylsulfanylpropyl)piperidine-3-carboxamide Openeye Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(3-phenylsulfanylpropyl)piperidine-3-carboxamide CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-[3-(phenylthio)propyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-phenylsulfanylpropyl)piperidine-3-carboxamide Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-[3-(phenylthio)propyl]nipecotamide Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O4S2/c1-15-19(16(2)27-22-15)29(25,26)23-12-6-8-17(14-23)20(24)21-11-7-13-28-18-9-4-3-5-10-18/h3-5,9-10,17H,6-8,11-14H2,1-2H3,(H,21,24)