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

Systemtic Name: 4-[3-[2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[3-[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[3-[2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[3-[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[3-[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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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)C(=O)C4CC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H28N4O4S/c1-15-13-20(16(2)26(15)18-5-7-19(8-6-18)31(23,29)30)21(27)14-24-9-11-25(12-10-24)22(28)17-3-4-17/h5-8,13,17H,3-4,9-12,14H2,1-2H3,(H2,23,29,30)/p+1