4-[1-chloranyl-6-(2-methyloctanoylamino)-1-oxidanylidene-hexan-2-yl]benzenesulfonic acid

Systemtic Name: 4-[1-chloranyl-6-(2-methyloctanoylamino)-1-oxidanylidene-hexan-2-yl]benzenesulfonic acid Openeye Name: 4-[1-chlorocarbonyl-5-(2-methyloctanoylamino)pentyl]benzenesulfonic acid CAS Name: 4-[1-chloro-6-[(2-methyl-1-oxooctyl)amino]-1-oxohexan-2-yl]benzenesulfonic acid IUPAC Name: 4-[1-chloro-6-(2-methyloctanoylamino)-1-oxohexan-2-yl]benzenesulfonic acid Traditional Name: 4-[1-chlorocarbonyl-5-(2-methyloctanoylamino)pentyl]besylic acid Formula: C21H32ClNO5S MolecularWeight: 446.00048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)NCCCCC(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)Cl

Isomeric SMILES

CCCCCCC(C)C(=O)NCCCCC(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)Cl

InChI

InChI=1S/C21H32ClNO5S/c1-3-4-5-6-9-16(2)21(25)23-15-8-7-10-19(20(22)24)17-11-13-18(14-12-17)29(26,27)28/h11-14,16,19H,3-10,15H2,1-2H3,(H,23,25)(H,26,27,28)