4-[[1-(2-methylprop-2-enoylamino)-1-oxidanylidene-decan-2-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 4-[[1-(2-methylprop-2-enoylamino)-1-oxidanylidene-decan-2-yl]carbamoyl]benzenesulfonic acid Openeye Name: 4-[1-(2-methylprop-2-enoylcarbamoyl)nonylcarbamoyl]benzenesulfonic acid CAS Name: 4-[[[1-[(2-methyl-1-oxoprop-2-enyl)amino]-1-oxodecan-2-yl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 4-[[1-(2-methylprop-2-enoylamino)-1-oxodecan-2-yl]carbamoyl]benzenesulfonic acid Traditional Name: 4-[1-(methacryloylcarbamoyl)nonylcarbamoyl]besylic acid Formula: C21H30N2O6S MolecularWeight: 438.5377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O6S/c1-4-5-6-7-8-9-10-18(21(26)23-19(24)15(2)3)22-20(25)16-11-13-17(14-12-16)30(27,28)29/h11-14,18H,2,4-10H2,1,3H3,(H,22,25)(H,23,24,26)(H,27,28,29)