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

Systemtic Name: 2-methyl-5-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[[4-(1-pyrrolidinyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-(4-pyrrolidinobenzyl)benzenesulfonamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-14-4-7-17(21(22)23)12-18(14)26(24,25)19-13-15-5-8-16(9-6-15)20-10-2-3-11-20/h4-9,12,19H,2-3,10-11,13H2,1H3