N-[(3S,4R,5R)-2,6-dimethyl-5-oxidanyl-4-(phenylcarbonyl)heptan-3-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(3S,4R,5R)-2,6-dimethyl-5-oxidanyl-4-(phenylcarbonyl)heptan-3-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2R,3R)-2-benzoyl-3-hydroxy-1-isopropyl-4-methyl-pentyl]-4-methyl-benzenesulfonamide CAS Name: N-[(3S,4R,5R)-4-benzoyl-5-hydroxy-2,6-dimethylheptan-3-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(3S,4R,5R)-4-benzoyl-5-hydroxy-2,6-dimethylheptan-3-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2R,3R)-2-benzoyl-3-hydroxy-1-isopropyl-4-methyl-pentyl]-4-methyl-benzenesulfonamide Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(C(C(C)C)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4S/c1-15(2)21(24-29(27,28)19-13-11-17(5)12-14-19)20(22(25)16(3)4)23(26)18-9-7-6-8-10-18/h6-16,20-22,24-25H,1-5H3/t20-,21+,22-/m1/s1