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

Systemtic Name: N-(3-methylsulfanylphenyl)-1-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide Traditional Name: 1-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonyl]-N-[3-(methylthio)phenyl]isonipecotamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H23N3O5S2/c1-30-16-4-2-3-15(11-16)22-21(26)14-7-9-24(10-8-14)31(27,28)17-5-6-19-18(12-17)23-20(25)13-29-19/h2-6,11-12,14H,7-10,13H2,1H3,(H,22,26)(H,23,25)