N,N-diethyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N,N-diethyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-N,N-diethyl-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-diethyl-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]thio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-N,N-diethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide Formula: C24H31N4O4S2+ MolecularWeight: 503.65734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O4S2/c1-3-28(4-2)34(30,31)20-10-11-22-21(16-20)25-24(32-22)33-18-23(29)27-14-12-26(13-15-27)17-19-8-6-5-7-9-19/h5-11,16H,3-4,12-15,17-18H2,1-2H3/p+1