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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H30ClNO5S MolecularWeight: 468.006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H30ClNO5S/c1-14(2)21(25-31(28,29)19-5-3-18(24)4-6-19)22(27)30-13-20(26)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17,21,25H,7-13H2,1-2H3/t15?,16?,17?,21-,23?/m0/s1