(4S,5R)-4-methyl-5-oxidanyl-1-phenyl-4-[1-(phenylsulfonyl)indol-3-yl]hexan-3-one

Systemtic Name: (4S,5R)-4-methyl-5-oxidanyl-1-phenyl-4-[1-(phenylsulfonyl)indol-3-yl]hexan-3-one Openeye Name: (4S,5R)-4-[1-(benzenesulfonyl)indol-3-yl]-5-hydroxy-4-methyl-1-phenyl-hexan-3-one CAS Name: (4S,5R)-4-[1-(benzenesulfonyl)-3-indolyl]-5-hydroxy-4-methyl-1-phenyl-3-hexanone IUPAC Name: (4S,5R)-4-[1-(benzenesulfonyl)indol-3-yl]-5-hydroxy-4-methyl-1-phenylhexan-3-one Traditional Name: (4S,5R)-4-(1-besylindol-3-yl)-5-hydroxy-4-methyl-1-phenyl-hexan-3-one Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)CCC4=CC=CC=C4)O

Isomeric SMILES

C[C@H]([C@](C)(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)CCC4=CC=CC=C4)O

InChI

InChI=1S/C27H27NO4S/c1-20(29)27(2,26(30)18-17-21-11-5-3-6-12-21)24-19-28(25-16-10-9-15-23(24)25)33(31,32)22-13-7-4-8-14-22/h3-16,19-20,29H,17-18H2,1-2H3/t20-,27-/m1/s1