ethyl 4-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-[4-(1-pyrrolyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(4-pyrrol-1-ylbenzoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C24H25N3O5S/c1-2-32-24(29)20-7-11-22(12-8-20)33(30,31)27-17-15-26(16-18-27)23(28)19-5-9-21(10-6-19)25-13-3-4-14-25/h3-14H,2,15-18H2,1H3