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

Systemtic Name: 4-[3-methylsulfonyl-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]but-2-yn-1-amine Openeye Name: 4-[3-methylsulfonyl-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]phenoxy]but-2-yn-1-amine CAS Name: 4-[3-methylsulfonyl-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)-2-oxolanyl]phenoxy]-2-butyn-1-amine IUPAC Name: 4-[3-methylsulfonyl-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]but-2-yn-1-amine Traditional Name: 4-[3-mesyl-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]phenoxy]but-2-ynylamine Formula: C27H35NO8S MolecularWeight: 533.6337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO8S/c1-6-12-35-27-24(34-13-8-7-11-28)16-19(17-25(27)37(5,29)30)21-10-9-20(36-21)18-14-22(31-2)26(33-4)23(15-18)32-3/h14-17,20-21H,6,9-13,28H2,1-5H3