N,N-diethyl-4-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonyl-piperazine-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonyl-piperazine-1-sulfonamide Openeye Name: N,N-diethyl-4-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]piperazine-1-sulfonamide CAS Name: N,N-diethyl-4-[[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-1-piperazinesulfonamide IUPAC Name: N,N-diethyl-4-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperazine-1-sulfonamide Traditional Name: N,N-diethyl-4-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]piperazine-1-sulfonamide Formula: C21H29FN4O3S MolecularWeight: 436.543363

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3F)C

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3F)C

InChI

InChI=1S/C21H29FN4O3S/c1-5-24(6-2)30(28,29)25-13-11-23(12-14-25)21(27)18-15-16(3)26(17(18)4)20-10-8-7-9-19(20)22/h7-10,15H,5-6,11-14H2,1-4H3