[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H34N2O7S MolecularWeight: 518.62236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCOCC5

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C26H34N2O7S/c1-33-22-4-2-18(13-23(22)36(31,32)28-6-8-34-9-7-28)3-5-25(30)35-17-24(29)27-26-14-19-10-20(15-26)12-21(11-19)16-26/h2-5,13,19-21H,6-12,14-17H2,1H3,(H,27,29)/b5-3+