3-chloranyl-4-methyl-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]-4-methyl-5-nitro-benzenesulfonamide Formula: C18H18ClN3O5S MolecularWeight: 423.87062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl)N3CCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl)N3CCCC3=O

InChI

InChI=1S/C18H18ClN3O5S/c1-11-8-13(5-6-16(11)21-7-3-4-18(21)23)20-28(26,27)14-9-15(19)12(2)17(10-14)22(24)25/h5-6,8-10,20H,3-4,7H2,1-2H3