4-[11-(2-methylprop-2-enoylamino)undecanoylamino]benzenesulfonic acid

Systemtic Name: 4-[11-(2-methylprop-2-enoylamino)undecanoylamino]benzenesulfonic acid Openeye Name: 4-[11-(2-methylprop-2-enoylamino)undecanoylamino]benzenesulfonic acid CAS Name: 4-[[11-[(2-methyl-1-oxoprop-2-enyl)amino]-1-oxoundecyl]amino]benzenesulfonic acid IUPAC Name: 4-[11-(2-methylprop-2-enoylamino)undecanoylamino]benzenesulfonic acid Traditional Name: 4-(11-methacrylamidoundecanoylamino)besylic acid Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-17(2)21(25)22-16-10-8-6-4-3-5-7-9-11-20(24)23-18-12-14-19(15-13-18)29(26,27)28/h12-15H,1,3-11,16H2,2H3,(H,22,25)(H,23,24)(H,26,27,28)