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

Systemtic Name: 4-methyl-3-nitro-N-[4-[2-(phenylmethyl)pyrrolidin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-(2-benzylpyrrolidine-1-carbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[4-[oxo-[2-(phenylmethyl)-1-pyrrolidinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-(2-benzylpyrrolidine-1-carbonyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[4-(2-benzylpyrrolidine-1-carbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O5S/c1-18-9-14-23(17-24(18)28(30)31)34(32,33)26-21-12-10-20(11-13-21)25(29)27-15-5-8-22(27)16-19-6-3-2-4-7-19/h2-4,6-7,9-14,17,22,26H,5,8,15-16H2,1H3