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

Systemtic Name: N-(3-methylsulfanylphenyl)-1-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-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-[3-(methylthio)phenyl]nipecotamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S2/c1-29-15-6-2-5-14(10-15)21-19(24)13-4-3-9-23(12-13)30(26,27)16-7-8-17-18(11-16)28-20(25)22-17/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,21,24)(H,22,25)