4-[4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Formula: C21H29N4O5S2+ MolecularWeight: 481.60876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H28N4O5S2/c1-15-13-20(16(2)25(15)17-3-4-17)21(26)14-23-9-11-24(12-10-23)32(29,30)19-7-5-18(6-8-19)31(22,27)28/h5-8,13,17H,3-4,9-12,14H2,1-2H3,(H2,22,27,28)/p+1