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

Systemtic Name: N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-[4-methyl-2-(3-pyridyl)thiazol-5-yl]ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[4-methyl-2-(3-pyridinyl)-5-thiazolyl]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-[4-methyl-2-(3-pyridyl)thiazol-5-yl]ethyl]-3-nitro-benzenesulfonamide Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4S2/c1-12-16(26-17(20-12)13-4-3-8-18-11-13)7-9-19-27(24,25)15-6-2-5-14(10-15)21(22)23/h2-6,8,10-11,19H,7,9H2,1H3