4-[1-chloranyl-6-[(2-methyl-8-oxidanylidene-octyl)amino]-1-oxidanylidene-hexan-2-yl]benzenesulfonic acid

Systemtic Name: 4-[1-chloranyl-6-[(2-methyl-8-oxidanylidene-octyl)amino]-1-oxidanylidene-hexan-2-yl]benzenesulfonic acid Openeye Name: 4-[1-chlorocarbonyl-5-[(2-methyl-8-oxo-octyl)amino]pentyl]benzenesulfonic acid CAS Name: 4-[1-chloro-6-[(2-methyl-8-oxooctyl)amino]-1-oxohexan-2-yl]benzenesulfonic acid IUPAC Name: 4-[1-chloro-6-[(2-methyl-8-oxooctyl)amino]-1-oxohexan-2-yl]benzenesulfonic acid Traditional Name: 4-[1-chlorocarbonyl-5-[(8-keto-2-methyl-octyl)amino]pentyl]besylic acid Formula: C21H32ClNO5S MolecularWeight: 446.00048

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC=O)CNCCCCC(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)Cl

Isomeric SMILES

CC(CCCCCC=O)CNCCCCC(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)Cl

InChI

InChI=1S/C21H32ClNO5S/c1-17(8-4-2-3-7-15-24)16-23-14-6-5-9-20(21(22)25)18-10-12-19(13-11-18)29(26,27)28/h10-13,15,17,20,23H,2-9,14,16H2,1H3,(H,26,27,28)