2-[3-[[(4-butylphenyl)methyl-(phenylsulfonyl)amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-butylphenyl)methyl-(phenylsulfonyl)amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[benzenesulfonyl-[(4-butylphenyl)methyl]amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[benzenesulfonyl-[(4-butylphenyl)methyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[benzenesulfonyl-[(4-butylphenyl)methyl]amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[besyl-(4-butylbenzyl)amino]methyl]phenyl]acetic acid Formula: C26H29NO4S MolecularWeight: 451.57776

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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=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO4S/c1-2-3-8-21-13-15-22(16-14-21)19-27(32(30,31)25-11-5-4-6-12-25)20-24-10-7-9-23(17-24)18-26(28)29/h4-7,9-17H,2-3,8,18-20H2,1H3,(H,28,29)