N-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-[2-methyl-6-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)N3CCCC3

InChI

InChI=1S/C18H19N3O6S/c1-12-5-4-6-14(18(23)20-9-2-3-10-20)17(12)19-28(26,27)13-7-8-16(22)15(11-13)21(24)25/h4-8,11,19,22H,2-3,9-10H2,1H3