4-[2,5-dimethyl-3-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoyl]pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[2,5-dimethyl-3-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoyl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[3-[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[3-[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[3-[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3S/c1-19-16-24(20(2)29(19)22-8-10-23(11-9-22)33(26,31)32)25(30)18-28-14-12-27(13-15-28)17-21-6-4-3-5-7-21/h3-11,16H,12-15,17-18H2,1-2H3,(H2,26,31,32)/p+1