N,N-diethyl-4-[(3-fluorophenyl)methyl-methyl-amino]-3-nitro-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O4S/c1-4-21(5-2)27(25,26)16-9-10-17(18(12-16)22(23)24)20(3)13-14-7-6-8-15(19)11-14/h6-12H,4-5,13H2,1-3H3