N,N-diethyl-4-[4-(4-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-(4-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(2-hydroxy-4-methyl-benzoyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[(2-hydroxy-4-methylphenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(2-hydroxy-4-methyl-benzoyl)piperazino]-3-nitro-benzenesulfonamide Formula: C22H28N4O6S MolecularWeight: 476.54592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)C)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)C)O)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c1-4-25(5-2)33(31,32)17-7-9-19(20(15-17)26(29)30)23-10-12-24(13-11-23)22(28)18-8-6-16(3)14-21(18)27/h6-9,14-15,27H,4-5,10-13H2,1-3H3