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

Systemtic Name: 2-methoxy-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methoxy-N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]-2-methoxy-5-nitro-benzenesulfonamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c1-12-10-13(5-7-15(12)20-9-3-4-18(20)22)19-28(25,26)17-11-14(21(23)24)6-8-16(17)27-2/h5-8,10-11,19H,3-4,9H2,1-2H3