N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)methyl-methyl-amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)methyl-methyl-amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)methyl-methyl-amino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)methyl-methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)methyl-methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[(4-fluorobenzyl)-methyl-amino]-3-nitro-benzenesulfonamide Formula: C18H23FN4O4S MolecularWeight: 410.463023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN4O4S/c1-21(2)11-10-20-28(26,27)16-8-9-17(18(12-16)23(24)25)22(3)13-14-4-6-15(19)7-5-14/h4-9,12,20H,10-11,13H2,1-3H3