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

Systemtic Name: 4-[3-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[3-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[3-[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[3-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[3-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Formula: C24H29N4O4S+ MolecularWeight: 469.57646

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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)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C24H28N4O4S/c1-17-15-21(18(2)28(17)19-7-9-20(10-8-19)33(25,31)32)24(30)16-26-11-13-27(14-12-26)22-5-3-4-6-23(22)29/h3-10,15,29H,11-14,16H2,1-2H3,(H2,25,31,32)/p+1