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

Systemtic Name: 4-methoxy-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]-4-methoxy-3-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=CC(=C(C=C2)OC)[N+](=O)[O-])N3CCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])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)14-6-8-17(27-2)16(11-14)21(23)24/h5-8,10-11,19H,3-4,9H2,1-2H3