3-[4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxo-butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxobutyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]butyl]-1,3-benzoxazol-2-one Formula: C22H24N4O7S MolecularWeight: 488.51356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H24N4O7S/c1-16-8-9-17(26(29)30)15-20(16)34(31,32)24-13-11-23(12-14-24)21(27)7-4-10-25-18-5-2-3-6-19(18)33-22(25)28/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3