ethyl 4-[4-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(1-ethyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(1-ethyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC)C

InChI

InChI=1S/C22H29N3O5S/c1-5-25-16(3)15-20(17(25)4)21(26)23-11-13-24(14-12-23)31(28,29)19-9-7-18(8-10-19)22(27)30-6-2/h7-10,15H,5-6,11-14H2,1-4H3