4-[4-cyano-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[4-cyano-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[5-(4-benzylpiperazin-4-ium-1-yl)-4-cyano-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[4-cyano-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-oxazolyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[5-(4-benzylpiperazin-4-ium-1-yl)-4-cyano-1,3-oxazol-2-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[5-(4-benzylpiperazin-4-ium-1-yl)-4-cyano-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide Formula: C25H30N5O3S+ MolecularWeight: 480.6024

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H29N5O3S/c1-3-30(4-2)34(31,32)22-12-10-21(11-13-22)24-27-23(18-26)25(33-24)29-16-14-28(15-17-29)19-20-8-6-5-7-9-20/h5-13H,3-4,14-17,19H2,1-2H3/p+1