(3,3-dimethyl-2-oxidanylidene-butyl) 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[[(E)-styryl]sulfonylamino]benzoate CAS Name: 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Traditional Name: 4-[[(E)-styryl]sulfonylamino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H23NO5S/c1-21(2,3)19(23)15-27-20(24)17-9-11-18(12-10-17)22-28(25,26)14-13-16-7-5-4-6-8-16/h4-14,22H,15H2,1-3H3/b14-13+