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

Systemtic Name: 1-[4-[4-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(1-ethyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(1-ethyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C21H27N3O4S MolecularWeight: 417.52178

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-5-24-15(2)14-20(16(24)3)21(26)22-10-12-23(13-11-22)29(27,28)19-8-6-18(7-9-19)17(4)25/h6-9,14H,5,10-13H2,1-4H3