[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-(1-adamantylsulfamoyl)-2-chloranyl-benzoate

Systemtic Name: [1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-(1-adamantylsulfamoyl)-2-chloranyl-benzoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-(1-adamantylsulfamoyl)-2-chloro-benzoate CAS Name: 5-(1-adamantylsulfamoyl)-2-chlorobenzoic acid [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-(1-adamantylsulfamoyl)-2-chlorobenzoate Traditional Name: 5-(1-adamantylsulfamoyl)-2-chloro-benzoic acid [2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C28H33ClN2O6S MolecularWeight: 561.08942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C28H33ClN2O6S/c1-17(26(32)30-16-18-3-5-22(36-2)6-4-18)37-27(33)24-12-23(7-8-25(24)29)38(34,35)31-28-13-19-9-20(14-28)11-21(10-19)15-28/h3-8,12,17,19-21,31H,9-11,13-16H2,1-2H3,(H,30,32)