[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H31NO5S/c1-14-4-5-20(6-15(14)2)30(27,28)24-13-21(25)29-16(3)22(26)23-10-17-7-18(11-23)9-19(8-17)12-23/h4-6,16-19,24H,7-13H2,1-3H3