N-[2-(4-methylsulfanylphenyl)ethyl]-1-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

Systemtic Name: N-[2-(4-methylsulfanylphenyl)ethyl]-1-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide Openeye Name: N-[2-(4-methylsulfanylphenyl)ethyl]-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide CAS Name: N-[2-[4-(methylthio)phenyl]ethyl]-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[2-(4-methylsulfanylphenyl)ethyl]-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide Traditional Name: 1-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyl]-N-[2-[4-(methylthio)phenyl]ethyl]nipecotamide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

Isomeric SMILES

CSC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

InChI

InChI=1S/C22H25N3O5S2/c1-31-17-6-4-15(5-7-17)10-11-23-21(26)16-3-2-12-25(14-16)32(28,29)18-8-9-19-20(13-18)30-22(27)24-19/h4-9,13,16H,2-3,10-12,14H2,1H3,(H,23,26)(H,24,27)