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

Systemtic Name: 4-bromanyl-N-[(4S,5S)-1-(1,3-dioxan-2-yl)-5-methyl-3-oxidanyl-heptan-4-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[(1S)-4-(1,3-dioxan-2-yl)-2-hydroxy-1-[(1S)-1-methylpropyl]butyl]benzenesulfonamide CAS Name: 4-bromo-N-[(4S,5S)-1-(1,3-dioxan-2-yl)-3-hydroxy-5-methylheptan-4-yl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(4S,5S)-1-(1,3-dioxan-2-yl)-3-hydroxy-5-methylheptan-4-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[(1S)-4-(1,3-dioxan-2-yl)-2-hydroxy-1-[(1S)-1-methylpropyl]butyl]benzenesulfonamide Formula: C18H28BrNO5S MolecularWeight: 450.38762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](C(CCC1OCCCO1)O)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H28BrNO5S/c1-3-13(2)18(16(21)9-10-17-24-11-4-12-25-17)20-26(22,23)15-7-5-14(19)6-8-15/h5-8,13,16-18,20-21H,3-4,9-12H2,1-2H3/t13-,16?,18-/m0/s1