methyl 2,4-dimethyl-5-[(2S)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2S)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(4-tosylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

InChI=1S/C22H29N3O5S/c1-14-6-8-18(9-7-14)31(28,29)25-12-10-24(11-13-25)17(4)21(26)20-15(2)19(16(3)23-20)22(27)30-5/h6-9,17,23H,10-13H2,1-5H3/p+1/t17-/m0/s1