1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-16-14-20(17(2)24(16)18-8-9-18)21(25)15-22-10-12-23(13-11-22)28(26,27)19-6-4-3-5-7-19/h3-7,14,18H,8-13,15H2,1-2H3/p+1