ethyl 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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