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

Systemtic Name: methyl 5-[2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(4-cyanophenyl)sulfonyl-1-piperazinyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(4-cyanophenyl)sulfonylpiperazino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H26N4O5S/c1-14-19(22(28)31-4)15(2)24-20(14)21(27)16(3)25-9-11-26(12-10-25)32(29,30)18-7-5-17(13-23)6-8-18/h5-8,16,24H,9-12H2,1-4H3