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

Systemtic Name: methyl 2,4-dimethyl-5-[(2R)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2R)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2R)-1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2R)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2R)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H26N3O5S2+ MolecularWeight: 440.55684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H25N3O5S2/c1-12-16(19(24)27-4)13(2)20-17(12)18(23)14(3)21-7-9-22(10-8-21)29(25,26)15-6-5-11-28-15/h5-6,11,14,20H,7-10H2,1-4H3/p+1/t14-/m1/s1