6-nitro-3-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-nitro-3-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]-6-nitro-1,3-benzoxazol-2-one Formula: C21H20N4O7S MolecularWeight: 472.4711

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O7S/c26-20(15-24-18-7-6-17(25(28)29)14-19(18)32-21(24)27)22-9-11-23(12-10-22)33(30,31)13-8-16-4-2-1-3-5-16/h1-8,13-14H,9-12,15H2/b13-8+