N-[1-[[5-(4-tert-butylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-yl]ethanesulfonamide

Systemtic Name: N-[1-[[5-(4-tert-butylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-yl]ethanesulfonamide Openeye Name: N-[1-[[5-(4-tert-butylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-yl]ethanesulfonamide CAS Name: N-[1-[[5-(4-tert-butylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidin-1-iumyl]ethanesulfonamide IUPAC Name: N-[1-[[5-(4-tert-butylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-yl]ethanesulfonamide Traditional Name: N-[1-[[5-(4-tert-butylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-yl]ethanesulfonamide Formula: C20H31N4O3S2+ MolecularWeight: 439.61514

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)NC1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H30N4O3S2/c1-5-29(25,26)22-17-10-12-23(13-11-17)14-24-19(28)27-18(21-24)15-6-8-16(9-7-15)20(2,3)4/h6-9,17,22H,5,10-14H2,1-4H3/p+1