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

Systemtic Name: 2-methyl-N-[4-methyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[4-methyl-3-(2-oxo-1-pyrrolidinyl)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: N-[3-(2-ketopyrrolidino)-4-methyl-phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-12-5-7-14(10-16(12)20-9-3-4-18(20)22)19-27(25,26)17-11-15(21(23)24)8-6-13(17)2/h5-8,10-11,19H,3-4,9H2,1-2H3