2-[5-tert-butyl-1-[(4-chlorophenyl)methyl]-3-(phenylsulfonyl)indol-2-yl]ethanoic acid

Systemtic Name: 2-[5-tert-butyl-1-[(4-chlorophenyl)methyl]-3-(phenylsulfonyl)indol-2-yl]ethanoic acid Openeye Name: 2-[3-(benzenesulfonyl)-5-tert-butyl-1-[(4-chlorophenyl)methyl]indol-2-yl]acetic acid CAS Name: 2-[3-(benzenesulfonyl)-5-tert-butyl-1-[(4-chlorophenyl)methyl]-2-indolyl]acetic acid IUPAC Name: 2-[3-(benzenesulfonyl)-5-tert-butyl-1-[(4-chlorophenyl)methyl]indol-2-yl]acetic acid Traditional Name: 2-[3-besyl-5-tert-butyl-1-(4-chlorobenzyl)indol-2-yl]acetic acid Formula: C27H26ClNO4S MolecularWeight: 496.01764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N(C(=C2S(=O)(=O)C3=CC=CC=C3)CC(=O)O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N(C(=C2S(=O)(=O)C3=CC=CC=C3)CC(=O)O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H26ClNO4S/c1-27(2,3)19-11-14-23-22(15-19)26(34(32,33)21-7-5-4-6-8-21)24(16-25(30)31)29(23)17-18-9-12-20(28)13-10-18/h4-15H,16-17H2,1-3H3,(H,30,31)