[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]acetic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H28ClN3O6S MolecularWeight: 497.99222

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN(CC(=O)OCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H28ClN3O6S/c1-26(33(30,31)18-4-2-17(23)3-5-18)12-20(28)32-13-19(27)24-21(29)25-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16H,6-13H2,1H3,(H2,24,25,27,29)