[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-[[(E)-styryl]sulfonylamino]benzoate CAS Name: 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Traditional Name: 3-[[(E)-styryl]sulfonylamino]benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC=C4)NS(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC=C4)NS(=O)(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O5S/c30-25(28-27-15-20-11-21(16-27)13-22(12-20)17-27)18-34-26(31)23-7-4-8-24(14-23)29-35(32,33)10-9-19-5-2-1-3-6-19/h1-10,14,20-22,29H,11-13,15-18H2,(H,28,30)/b10-9+