N-(2,4-dimethylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-(1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-3-nitro-4-pyrrolidino-benzenesulfonamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O4S/c1-13-5-7-16(14(2)11-13)19-26(24,25)15-6-8-17(18(12-15)21(22)23)20-9-3-4-10-20/h5-8,11-12,19H,3-4,9-10H2,1-2H3