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

Systemtic Name: methyl 5-[(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2R)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2R)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H32N3O6S+ MolecularWeight: 478.58168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C23H31N3O6S/c1-6-32-18-7-9-19(10-8-18)33(29,30)26-13-11-25(12-14-26)17(4)22(27)21-15(2)20(16(3)24-21)23(28)31-5/h7-10,17,24H,6,11-14H2,1-5H3/p+1/t17-/m1/s1