(3,3-dimethyl-2-oxidanylidene-butyl) 3-[(4-methoxyphenyl)-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-[(4-methoxyphenyl)-(phenylmethyl)sulfamoyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-methoxyphenyl)-(phenylmethyl)sulfamoyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate Traditional Name: 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C27H29NO6S MolecularWeight: 495.58726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H29NO6S/c1-27(2,3)25(29)19-34-26(30)21-11-8-12-24(17-21)35(31,32)28(18-20-9-6-5-7-10-20)22-13-15-23(33-4)16-14-22/h5-17H,18-19H2,1-4H3