[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C28H32N2O5S MolecularWeight: 508.62908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32N2O5S/c31-26(29-28-15-19-12-20(16-28)14-21(13-19)17-28)18-35-27(32)23-7-9-24(10-8-23)36(33,34)30-11-3-5-22-4-1-2-6-25(22)30/h1-2,4,6-10,19-21H,3,5,11-18H2,(H,29,31)