4-(13-methyltetradecanoylamino)benzenesulfonic acid

Systemtic Name: 4-(13-methyltetradecanoylamino)benzenesulfonic acid Openeye Name: 4-(13-methyltetradecanoylamino)benzenesulfonic acid CAS Name: 4-[(13-methyl-1-oxotetradecyl)amino]benzenesulfonic acid IUPAC Name: 4-(13-methyltetradecanoylamino)benzenesulfonic acid Traditional Name: 4-(13-methyltetradecanoylamino)besylic acid Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H35NO4S/c1-18(2)12-10-8-6-4-3-5-7-9-11-13-21(23)22-19-14-16-20(17-15-19)27(24,25)26/h14-18H,3-13H2,1-2H3,(H,22,23)(H,24,25,26)