4-[2-propoxy-3-propylsulfonyl-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]but-2-yn-1-amine

Systemtic Name: 4-[2-propoxy-3-propylsulfonyl-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]but-2-yn-1-amine Openeye Name: 4-[2-propoxy-3-propylsulfonyl-5-[5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]phenoxy]but-2-yn-1-amine CAS Name: 4-[2-propoxy-3-propylsulfonyl-5-[5-(3,4,5-trimethoxyphenyl)-2-oxolanyl]phenoxy]-2-butyn-1-amine IUPAC Name: 4-[2-propoxy-3-propylsulfonyl-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]but-2-yn-1-amine Traditional Name: 4-[2-propoxy-3-propylsulfonyl-5-[5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]phenoxy]but-2-ynylamine Formula: C29H39NO8S MolecularWeight: 561.68686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1S(=O)(=O)CCC)C2CCC(O2)C3=CC(=C(C(=C3)OC)OC)OC)OCC#CCN

Isomeric SMILES

CCCOC1=C(C=C(C=C1S(=O)(=O)CCC)C2CCC(O2)C3=CC(=C(C(=C3)OC)OC)OC)OCC#CCN

InChI

InChI=1S/C29H39NO8S/c1-6-13-37-29-26(36-14-9-8-12-30)18-21(19-27(29)39(31,32)15-7-2)23-11-10-22(38-23)20-16-24(33-3)28(35-5)25(17-20)34-4/h16-19,22-23H,6-7,10-15,30H2,1-5H3