3-phenylpropyl 5-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-5-oxo-pentanoate CAS Name: 5-[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-5-oxopentanoate Traditional Name: 5-[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C28H32N2O5S MolecularWeight: 508.62908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O5S/c1-21-9-6-10-22(2)28(21)30-36(33,34)25-18-16-24(17-19-25)29-26(31)14-7-15-27(32)35-20-8-13-23-11-4-3-5-12-23/h3-6,9-12,16-19,30H,7-8,13-15,20H2,1-2H3,(H,29,31)