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

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-thiazol-5-yl]ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-5-thiazolyl]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-thiazol-5-yl]ethyl]-3-nitro-benzenesulfonamide Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S2/c1-13-19(30-20(22-13)14-7-8-17(28-2)18(11-14)29-3)9-10-21-31(26,27)16-6-4-5-15(12-16)23(24)25/h4-8,11-12,21H,9-10H2,1-3H3