2-[3-[[(4-butylphenyl)methyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-butylphenyl)methyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-butylphenyl)methyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-butylphenyl)methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-butylphenyl)methyl-(1-methylimidazol-4-yl)sulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-butylbenzyl)-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]phenyl]acetic acid Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CN(C=N3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CN(C=N3)C

InChI

InChI=1S/C24H29N3O4S/c1-3-4-6-19-9-11-20(12-10-19)15-27(32(30,31)23-17-26(2)18-25-23)16-22-8-5-7-21(13-22)14-24(28)29/h5,7-13,17-18H,3-4,6,14-16H2,1-2H3,(H,28,29)