[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-(2-thienylsulfonylamino)acetate CAS Name: 2-(thiophen-2-ylsulfonylamino)acetic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-thienylsulfonylamino)acetic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H25N3O6S2 MolecularWeight: 455.5483

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H25N3O6S2/c23-15(11-28-16(24)10-20-30(26,27)17-2-1-3-29-17)21-18(25)22-19-7-12-4-13(8-19)6-14(5-12)9-19/h1-3,12-14,20H,4-11H2,(H2,21,22,23,25)