N,N-diethyl-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N,N-diethyl-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: N,N-diethyl-3-[[3-(hydroxymethyl)-1-piperidyl]methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-diethyl-3-[[3-(hydroxymethyl)-1-piperidinyl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: N,N-diethyl-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: N,N-diethyl-3-[(3-methylolpiperidino)methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CCCC(C3)CO

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CCCC(C3)CO

InChI

InChI=1S/C18H27N3O4S2/c1-3-20(4-2)27(23,24)15-7-8-17-16(10-15)21(18(26)25-17)13-19-9-5-6-14(11-19)12-22/h7-8,10,14,22H,3-6,9,11-13H2,1-2H3