4-[5-(4-chlorophenyl)-2-methyl-3-(3-methylbutanoyl)pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-(4-chlorophenyl)-2-methyl-3-(3-methylbutanoyl)pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[5-(4-chlorophenyl)-2-methyl-3-(3-methylbutanoyl)pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[5-(4-chlorophenyl)-2-methyl-3-(3-methyl-1-oxobutyl)-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[5-(4-chlorophenyl)-2-methyl-3-(3-methylbutanoyl)pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[5-(4-chlorophenyl)-3-isovaleryl-2-methyl-pyrrol-1-yl]benzenesulfonamide Formula: C22H23ClN2O3S MolecularWeight: 430.94762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl)C(=O)CC(C)C

Isomeric SMILES

CC1=C(C=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl)C(=O)CC(C)C

InChI

InChI=1S/C22H23ClN2O3S/c1-14(2)12-22(26)20-13-21(16-4-6-17(23)7-5-16)25(15(20)3)18-8-10-19(11-9-18)29(24,27)28/h4-11,13-14H,12H2,1-3H3,(H2,24,27,28)