1-[4,4-bis(4-methylsulfonylphenyl)butan-2-ylamino]-3-phenoxy-propan-2-ol

Systemtic Name: 1-[4,4-bis(4-methylsulfonylphenyl)butan-2-ylamino]-3-phenoxy-propan-2-ol Openeye Name: 1-[[1-methyl-3,3-bis(4-methylsulfonylphenyl)propyl]amino]-3-phenoxy-propan-2-ol CAS Name: 1-[4,4-bis(4-methylsulfonylphenyl)butan-2-ylamino]-3-phenoxy-2-propanol IUPAC Name: 1-[4,4-bis(4-methylsulfonylphenyl)butan-2-ylamino]-3-phenoxypropan-2-ol Traditional Name: 1-[[3,3-bis(4-mesylphenyl)-1-methyl-propyl]amino]-3-phenoxy-propan-2-ol Formula: C27H33NO6S2 MolecularWeight: 531.68402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=C(C=C2)S(=O)(=O)C)NCC(COC3=CC=CC=C3)O

Isomeric SMILES

CC(CC(C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=C(C=C2)S(=O)(=O)C)NCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C27H33NO6S2/c1-20(28-18-23(29)19-34-24-7-5-4-6-8-24)17-27(21-9-13-25(14-10-21)35(2,30)31)22-11-15-26(16-12-22)36(3,32)33/h4-16,20,23,27-29H,17-19H2,1-3H3