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

Systemtic Name: N,N-diethyl-3-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: N,N-diethyl-3-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-diethyl-3-[[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: N,N-diethyl-3-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: N,N-diethyl-3-[[(3S)-3-methylolpiperidin-1-ium-1-yl]methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C18H28N3O4S2+ MolecularWeight: 414.56262

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCCC(C3)CO

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCC[C@@H](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/p+1/t14-/m0/s1