N-[(1S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-cyclohex-2-en-1-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-cyclohex-2-en-1-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,4S,5R)-4-hydroxy-5-(hydroxymethyl)cyclohex-2-en-1-yl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-1-cyclohex-2-enyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,4S,5R)-4-hydroxy-5-(hydroxymethyl)cyclohex-2-en-1-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,4S,5R)-4-hydroxy-5-methylol-cyclohex-2-en-1-yl]-4-methyl-benzenesulfonamide Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(C(C=C2)O)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C[C@@H]([C@H](C=C2)O)CO

InChI

InChI=1S/C14H19NO4S/c1-10-2-5-13(6-3-10)20(18,19)15-12-4-7-14(17)11(8-12)9-16/h2-7,11-12,14-17H,8-9H2,1H3/t11-,12-,14+/m1/s1