N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-cyclopropyl-N-(4-fluorobenzyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C18H19FN2O4S MolecularWeight: 378.417863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N(CC2=CC=C(C=C2)F)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N(CC2=CC=C(C=C2)F)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H19FN2O4S/c1-12-9-17(21(22)23)10-18(13(12)2)26(24,25)20(16-7-8-16)11-14-3-5-15(19)6-4-14/h3-6,9-10,16H,7-8,11H2,1-2H3