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

Systemtic Name: (3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-[4-(methylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-[4-(methylthio)phenyl]nipecotamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H23N3O4S2/c1-12-17(13(2)25-20-12)27(23,24)21-10-4-5-14(11-21)18(22)19-15-6-8-16(26-3)9-7-15/h6-9,14H,4-5,10-11H2,1-3H3,(H,19,22)/t14-/m0/s1