3,3-dimethyl-4-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetyl]-1H-quinoxalin-2-one Formula: C22H24N4O7S MolecularWeight: 488.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N4O7S/c1-22(2)21(28)23-16-7-3-4-8-17(16)25(22)20(27)14-33-19-10-9-15(13-18(19)26(29)30)34(31,32)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,23,28)