[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H31ClN2O5S MolecularWeight: 483.02064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H31ClN2O5S/c1-14(2)21(26-32(29,30)19-5-3-18(24)4-6-19)22(28)31-13-20(27)25-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17,21,26H,7-13H2,1-2H3,(H,25,27)