(3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-[4-[(3-sulfamoylphenyl)amino]phenyl]prop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-[4-[(3-sulfamoylphenyl)amino]phenyl]prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (E)-3-[4-(3-sulfamoylanilino)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(3-sulfamoylanilino)phenyl]-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (E)-3-[4-(3-sulfamoylanilino)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(3-sulfamoylanilino)phenyl]acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C=CC1=CC=C(C=C1)NC2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)/C=C/C1=CC=C(C=C1)NC2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C21H24N2O5S/c1-21(2,3)19(24)14-28-20(25)12-9-15-7-10-16(11-8-15)23-17-5-4-6-18(13-17)29(22,26)27/h4-13,23H,14H2,1-3H3,(H2,22,26,27)/b12-9+