3-chloranyl-N-[1-(1,3-dioxan-2-yl)-5-methyl-3-oxidanyl-heptan-4-yl]benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[1-(1,3-dioxan-2-yl)-5-methyl-3-oxidanyl-heptan-4-yl]benzenesulfonamide Openeye Name: 3-chloro-N-[4-(1,3-dioxan-2-yl)-2-hydroxy-1-sec-butyl-butyl]benzenesulfonamide CAS Name: 3-chloro-N-[1-(1,3-dioxan-2-yl)-3-hydroxy-5-methylheptan-4-yl]benzenesulfonamide IUPAC Name: 3-chloro-N-[1-(1,3-dioxan-2-yl)-3-hydroxy-5-methylheptan-4-yl]benzenesulfonamide Traditional Name: 3-chloro-N-[4-(1,3-dioxan-2-yl)-2-hydroxy-1-sec-butyl-butyl]benzenesulfonamide Formula: C18H28ClNO5S MolecularWeight: 405.93662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CCC1OCCCO1)O)NS(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCC(C)C(C(CCC1OCCCO1)O)NS(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H28ClNO5S/c1-3-13(2)18(16(21)8-9-17-24-10-5-11-25-17)20-26(22,23)15-7-4-6-14(19)12-15/h4,6-7,12-13,16-18,20-21H,3,5,8-11H2,1-2H3