N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C16H14ClN5O4S MolecularWeight: 407.83146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN5O4S/c1-10-5-13(22(23)24)7-16(11(10)2)27(25,26)20-14-6-12(17)3-4-15(14)21-9-18-8-19-21/h3-9,20H,1-2H3