methyl 4-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]-1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]-1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl 4-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]-1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]-1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]-1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C23H29ClN3O5S+ MolecularWeight: 495.01146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O5S/c1-15-21(22(23(29)32-3)16(2)27(15)18-6-7-18)20(28)14-25-10-12-26(13-11-25)33(30,31)19-8-4-17(24)5-9-19/h4-5,8-9,18H,6-7,10-14H2,1-3H3/p+1