3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide

Systemtic Name: 3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide Openeye Name: 3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide CAS Name: 3-nitro-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzenesulfonamide IUPAC Name: 3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide Traditional Name: 3-nitro-N-(4-pyrrolidinosulfonylphenyl)benzenesulfonamide Formula: C16H17N3O6S2 MolecularWeight: 411.45268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S2/c20-19(21)14-4-3-5-16(12-14)26(22,23)17-13-6-8-15(9-7-13)27(24,25)18-10-1-2-11-18/h3-9,12,17H,1-2,10-11H2