4-(3-methylbutyl)-N-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)benzenesulfonamide

Systemtic Name: 4-(3-methylbutyl)-N-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)benzenesulfonamide Openeye Name: 4-isopentyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 4-(3-methylbutyl)-N-[2-methyl-6-[oxo(1-pyrrolidinyl)methyl]phenyl]benzenesulfonamide IUPAC Name: 4-(3-methylbutyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-isoamyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide Formula: C23H30N2O3S MolecularWeight: 414.5609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)C2=CC=C(C=C2)CCC(C)C)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)C2=CC=C(C=C2)CCC(C)C)C(=O)N3CCCC3

InChI

InChI=1S/C23H30N2O3S/c1-17(2)9-10-19-11-13-20(14-12-19)29(27,28)24-22-18(3)7-6-8-21(22)23(26)25-15-4-5-16-25/h6-8,11-14,17,24H,4-5,9-10,15-16H2,1-3H3