[2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31NO6S/c27-23(25-14-19-11-20(15-25)13-21(12-19)16-25)17-32-24(28)6-3-18-1-4-22(5-2-18)33(29,30)26-7-9-31-10-8-26/h1-6,19-21H,7-17H2/b6-3+