4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-nitro-benzenesulfonamide Formula: C17H19ClN4O4S MolecularWeight: 410.87516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H19ClN4O4S/c1-12-2-3-13(18)10-16(12)21-8-6-20(7-9-21)15-5-4-14(27(19,25)26)11-17(15)22(23)24/h2-5,10-11H,6-9H2,1H3,(H2,19,25,26)