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4-[(4-tert-butylphenyl)-[(4-methyl-3-methylsulfonyl-phenyl)carbamoylamino]methyl]benzoic acid

4-[(4-tert-butylphenyl)-[(4-methyl-3-methylsulfonyl-phenyl)carbamoylamino]methyl]benzoic acid

Systemtic Name:4-[(4-tert-butylphenyl)-[(4-methyl-3-methylsulfonyl-phenyl)carbamoylamino]methyl]benzoic acid
Openeye Name:4-[(4-tert-butylphenyl)-[(4-methyl-3-methylsulfonyl-phenyl)carbamoylamino]methyl]benzoic acid
CAS Name:4-[(4-tert-butylphenyl)-[[(4-methyl-3-methylsulfonylanilino)-oxomethyl]amino]methyl]benzoic acid
IUPAC Name:4-[(4-tert-butylphenyl)-[(4-methyl-3-methylsulfonylphenyl)carbamoylamino]methyl]benzoic acid
Traditional Name:4-[(4-tert-butylphenyl)-[(3-mesyl-4-methyl-phenyl)carbamoylamino]methyl]benzoic acid
Formula: C27H30N2O5S
MolecularWeight: 494.6025
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)C


Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)C


InChI

InChI=1S/C27H30N2O5S/c1-17-6-15-22(16-23(17)35(5,33)34)28-26(32)29-24(18-7-9-20(10-8-18)25(30)31)19-11-13-21(14-12-19)27(2,3)4/h6-16,24H,1-5H3,(H,30,31)(H2,28,29,32)


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