N-(2-methoxyphenyl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]-5-nitro-benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]-5-nitro-benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]-5-nitro-benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-5-nitrobenzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]-5-nitrobenzenesulfonamide Traditional Name: 2-(4-isovalerylpiperazino)-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C22H28N4O6S MolecularWeight: 476.54592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C22H28N4O6S/c1-16(2)14-22(27)25-12-10-24(11-13-25)19-9-8-17(26(28)29)15-21(19)33(30,31)23-18-6-4-5-7-20(18)32-3/h4-9,15-16,23H,10-14H2,1-3H3