4-[2,5-dimethyl-3-(2-quinolin-2-ylsulfanylethanoyl)pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[2,5-dimethyl-3-(2-quinolin-2-ylsulfanylethanoyl)pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-(2-quinolylsulfanyl)acetyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(2-quinolinylthio)ethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-(2-quinolin-2-ylsulfanylacetyl)pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[2-(2-quinolylthio)acetyl]pyrrol-1-yl]benzenesulfonamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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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)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H21N3O3S2/c1-15-13-20(16(2)26(15)18-8-10-19(11-9-18)31(24,28)29)22(27)14-30-23-12-7-17-5-3-4-6-21(17)25-23/h3-13H,14H2,1-2H3,(H2,24,28,29)