5-[bis[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-[(3-methylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 5-[bis[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-[(3-methylphenyl)methylsulfanyl]benzoic acid Openeye Name: 5-[bis[(4-isopropylphenyl)methyl]sulfamoyl]-2-(m-tolylmethylsulfanyl)benzoic acid CAS Name: 5-[bis[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-[(3-methylphenyl)methylthio]benzoic acid IUPAC Name: 5-[bis[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-[(3-methylphenyl)methylsulfanyl]benzoic acid Traditional Name: 5-[bis(4-isopropylbenzyl)sulfamoyl]-2-[(3-methylbenzyl)thio]benzoic acid Formula: C35H39NO4S2 MolecularWeight: 601.81846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=C(C=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)C(C)C)CC4=CC=C(C=C4)C(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=C(C=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)C(C)C)CC4=CC=C(C=C4)C(C)C)C(=O)O

InChI

InChI=1S/C35H39NO4S2/c1-24(2)30-13-9-27(10-14-30)21-36(22-28-11-15-31(16-12-28)25(3)4)42(39,40)32-17-18-34(33(20-32)35(37)38)41-23-29-8-6-7-26(5)19-29/h6-20,24-25H,21-23H2,1-5H3,(H,37,38)