4-[3-[2-[(3-fluorophenyl)methyl-methyl-amino]ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[3-[2-[(3-fluorophenyl)methyl-methyl-amino]ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[3-[2-[(3-fluorophenyl)methyl-methyl-amino]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[3-[2-[(3-fluorophenyl)methyl-methylamino]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[3-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[3-[2-[(3-fluorobenzyl)-methyl-amino]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Formula: C22H24FN3O3S MolecularWeight: 429.507663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CN(C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CN(C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H24FN3O3S/c1-15-11-21(22(27)14-25(3)13-17-5-4-6-18(23)12-17)16(2)26(15)19-7-9-20(10-8-19)30(24,28)29/h4-12H,13-14H2,1-3H3,(H2,24,28,29)