ethyl 3,5-dimethyl-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-(4-p-cumenylsulfonylpiperazine-1-carbonyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C

InChI

InChI=1S/C23H31N3O5S/c1-6-31-23(28)21-16(4)20(17(5)24-21)22(27)25-11-13-26(14-12-25)32(29,30)19-9-7-18(8-10-19)15(2)3/h7-10,15,24H,6,11-14H2,1-5H3