4-(4-methyl-3-nitro-phenyl)sulfonyl-1-phenethyl-piperazine-2,6-dione

Systemtic Name: 4-(4-methyl-3-nitro-phenyl)sulfonyl-1-phenethyl-piperazine-2,6-dione Openeye Name: 4-(4-methyl-3-nitro-phenyl)sulfonyl-1-phenethyl-piperazine-2,6-dione CAS Name: 4-(4-methyl-3-nitrophenyl)sulfonyl-1-phenethylpiperazine-2,6-dione IUPAC Name: 4-(4-methyl-3-nitrophenyl)sulfonyl-1-phenethylpiperazine-2,6-dione Traditional Name: 4-(4-methyl-3-nitro-phenyl)sulfonyl-1-phenethyl-piperazine-2,6-quinone Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S/c1-14-7-8-16(11-17(14)22(25)26)29(27,28)20-12-18(23)21(19(24)13-20)10-9-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3