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

Systemtic Name: 1-[4-[4-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(1-isopropyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(1-isopropyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H29N3O4S/c1-15(2)25-16(3)14-21(17(25)4)22(27)23-10-12-24(13-11-23)30(28,29)20-8-6-19(7-9-20)18(5)26/h6-9,14-15H,10-13H2,1-5H3