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

Systemtic Name: 3-phenylpropyl 5-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[4-[(2,4-dimethylphenyl)sulfamoyl]anilino]-5-oxo-pentanoate CAS Name: 5-[4-[(2,4-dimethylphenyl)sulfamoyl]anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-[(2,4-dimethylphenyl)sulfamoyl]anilino]-5-oxopentanoate Traditional Name: 5-[4-[(2,4-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=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

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