2-methyl-3-[(4-methylphenyl)sulfonyl-[(E)-octadec-9-enyl]amino]propanoic acid

Systemtic Name: 2-methyl-3-[(4-methylphenyl)sulfonyl-[(E)-octadec-9-enyl]amino]propanoic acid Openeye Name: 2-methyl-3-[[(E)-octadec-9-enyl]-(p-tolylsulfonyl)amino]propanoic acid CAS Name: 2-methyl-3-[(4-methylphenyl)sulfonyl-[(E)-octadec-9-enyl]amino]propanoic acid IUPAC Name: 2-methyl-3-[(4-methylphenyl)sulfonyl-[(E)-octadec-9-enyl]amino]propanoic acid Traditional Name: 2-methyl-3-[[(E)-octadec-9-enyl]-tosyl-amino]propionic acid Formula: C29H49NO4S MolecularWeight: 507.76866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CC(C)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(CC(C)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C29H49NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30(25-27(3)29(31)32)35(33,34)28-22-20-26(2)21-23-28/h11-12,20-23,27H,4-10,13-19,24-25H2,1-3H3,(H,31,32)/b12-11+