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

Systemtic Name: 5-[4-cyano-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazol-2-yl]-2-methoxy-N,N-dimethyl-benzenesulfonamide Openeye Name: 5-[5-(4-benzylpiperazin-4-ium-1-yl)-4-cyano-oxazol-2-yl]-2-methoxy-N,N-dimethyl-benzenesulfonamide CAS Name: 5-[4-cyano-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-oxazolyl]-2-methoxy-N,N-dimethylbenzenesulfonamide IUPAC Name: 5-[5-(4-benzylpiperazin-4-ium-1-yl)-4-cyano-1,3-oxazol-2-yl]-2-methoxy-N,N-dimethylbenzenesulfonamide Traditional Name: 5-[5-(4-benzylpiperazin-4-ium-1-yl)-4-cyano-oxazol-2-yl]-2-methoxy-N,N-dimethyl-benzenesulfonamide Formula: C24H28N5O4S+ MolecularWeight: 482.57522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O4S/c1-27(2)34(30,31)22-15-19(9-10-21(22)32-3)23-26-20(16-25)24(33-23)29-13-11-28(12-14-29)17-18-7-5-4-6-8-18/h4-10,15H,11-14,17H2,1-3H3/p+1