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

Systemtic Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-piperidine-3-carboxamide CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-[2-(phenylmethylthio)ethyl]-3-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-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)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCCSCC3=CC=CC=C3

InChI

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