4-[[[4-[4-[(4-cyclohexylphenyl)methylsulfonyl]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methylsulfonyl]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methylsulfonyl]phenyl]thiazol-2-yl]-isopropyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methylsulfonyl]phenyl]-2-thiazolyl]-propan-2-ylamino]methyl]benzoic acid IUPAC Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methylsulfonyl]phenyl]-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-(4-cyclohexylbenzyl)sulfonylphenyl]thiazol-2-yl]-isopropyl-amino]methyl]benzoic acid Formula: C33H36N2O4S2 MolecularWeight: 588.77994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)CC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)CC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C33H36N2O4S2/c1-23(2)35(20-24-8-14-29(15-9-24)32(36)37)33-34-31(21-40-33)28-16-18-30(19-17-28)41(38,39)22-25-10-12-27(13-11-25)26-6-4-3-5-7-26/h8-19,21,23,26H,3-7,20,22H2,1-2H3,(H,36,37)