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

Systemtic Name: N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-[2-(4-methoxyphenyl)thiazol-4-yl]ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-[2-(4-methoxyphenyl)-4-thiazolyl]ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-[2-(4-methoxyphenyl)thiazol-4-yl]ethyl]-2-nitro-benzenesulfonamide Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)CCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)CCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S2/c1-26-15-8-6-13(7-9-15)18-20-14(12-27-18)10-11-19-28(24,25)17-5-3-2-4-16(17)21(22)23/h2-9,12,19H,10-11H2,1H3