1-[4-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-anilino]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroanilino]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroanilino]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]phenyl]-2-pyrrolidone Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)N4CCCC4=O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)N4CCCC4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5S/c1-23-11-13-24(14-12-23)32(30,31)18-8-9-19(20(15-18)26(28)29)22-16-4-6-17(7-5-16)25-10-2-3-21(25)27/h4-9,15,22H,2-3,10-14H2,1H3