[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-[methyl(2-thienylsulfonyl)amino]butanoate CAS Name: 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Traditional Name: 4-[methyl(2-thienylsulfonyl)amino]butyric acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C22H31NO5S2 MolecularWeight: 453.61524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCCN(C)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCCN(C)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H31NO5S2/c1-15(21(25)22-12-16-9-17(13-22)11-18(10-16)14-22)28-19(24)5-3-7-23(2)30(26,27)20-6-4-8-29-20/h4,6,8,15-18H,3,5,7,9-14H2,1-2H3