3-nitro-N-[4-[2-(phenylmethyl)pyrrolidin-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[4-[2-(phenylmethyl)pyrrolidin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-(2-benzylpyrrolidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[4-[oxo-[2-(phenylmethyl)-1-pyrrolidinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-(2-benzylpyrrolidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(2-benzylpyrrolidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O5S/c28-24(26-15-5-9-21(26)16-18-6-2-1-3-7-18)19-11-13-20(14-12-19)25-33(31,32)23-10-4-8-22(17-23)27(29)30/h1-4,6-8,10-14,17,21,25H,5,9,15-16H2