4-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]-1-phenethyl-piperazine-2,6-dione

Systemtic Name: 4-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]-1-phenethyl-piperazine-2,6-dione Openeye Name: 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-1-phenethyl-piperazine-2,6-dione CAS Name: 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-1-phenethylpiperazine-2,6-dione IUPAC Name: 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-1-phenethylpiperazine-2,6-dione Traditional Name: 4-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonyl]-1-phenethyl-piperazine-2,6-quinone Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4)OC1=O

InChI

InChI=1S/C20H19N3O6S/c1-21-16-8-7-15(11-17(16)29-20(21)26)30(27,28)22-12-18(24)23(19(25)13-22)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3