phenyl 2-(1-adamantyl)-3-[(4-chlorophenyl)sulfonylamino]-2-ethyl-butanoate

Systemtic Name: phenyl 2-(1-adamantyl)-3-[(4-chlorophenyl)sulfonylamino]-2-ethyl-butanoate Openeye Name: phenyl 2-(1-adamantyl)-3-[(4-chlorophenyl)sulfonylamino]-2-ethyl-butanoate CAS Name: 2-(1-adamantyl)-3-[(4-chlorophenyl)sulfonylamino]-2-ethylbutanoic acid phenyl ester IUPAC Name: phenyl 2-(1-adamantyl)-3-[(4-chlorophenyl)sulfonylamino]-2-ethylbutanoate Traditional Name: 2-(1-adamantyl)-3-[(4-chlorophenyl)sulfonylamino]-2-ethyl-butyric acid phenyl ester Formula: C28H34ClNO4S MolecularWeight: 516.09186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)NS(=O)(=O)C1=CC=C(C=C1)Cl)(C(=O)OC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC(C(C)NS(=O)(=O)C1=CC=C(C=C1)Cl)(C(=O)OC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H34ClNO4S/c1-3-28(26(31)34-24-7-5-4-6-8-24,27-16-20-13-21(17-27)15-22(14-20)18-27)19(2)30-35(32,33)25-11-9-23(29)10-12-25/h4-12,19-22,30H,3,13-18H2,1-2H3