N-tert-butyl-4-[(3-fluorophenyl)methyl-methyl-amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[(3-fluorophenyl)methyl-methyl-amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(3-fluorophenyl)methyl-methyl-amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[(3-fluorophenyl)methyl-methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(3-fluorophenyl)methyl-methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(3-fluorobenzyl)-methyl-amino]-3-nitro-benzenesulfonamide Formula: C18H22FN3O4S MolecularWeight: 395.448383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC(=CC=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC(=CC=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22FN3O4S/c1-18(2,3)20-27(25,26)15-8-9-16(17(11-15)22(23)24)21(4)12-13-6-5-7-14(19)10-13/h5-11,20H,12H2,1-4H3