2-methyl-5-nitro-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[4-(pyrrolidine-1-carbonyl)benzyl]benzenesulfonamide Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C19H21N3O5S/c1-14-4-9-17(22(24)25)12-18(14)28(26,27)20-13-15-5-7-16(8-6-15)19(23)21-10-2-3-11-21/h4-9,12,20H,2-3,10-11,13H2,1H3