N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-[2-(3-fluorophenyl)-4-methyl-thiazol-5-yl]ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[2-(3-fluorophenyl)-4-methyl-5-thiazolyl]ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[2-(3-fluorophenyl)-4-methyl-thiazol-5-yl]ethyl]-4-nitro-benzenesulfonamide Formula: C18H16FN3O4S2 MolecularWeight: 421.465743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=CC=C2)F)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=CC=C2)F)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN3O4S2/c1-12-17(27-18(21-12)13-3-2-4-14(19)11-13)9-10-20-28(25,26)16-7-5-15(6-8-16)22(23)24/h2-8,11,20H,9-10H2,1H3