1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazino]ethanone Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C21H26FN3O3S/c1-15-12-20(16(2)25(15)18-6-7-18)21(26)14-23-8-10-24(11-9-23)29(27,28)19-5-3-4-17(22)13-19/h3-5,12-13,18H,6-11,14H2,1-2H3