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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H27ClN2O5S MolecularWeight: 454.96748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O5S/c1-24(30(27,28)18-4-2-17(22)3-5-18)12-20(26)29-13-19(25)23-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-13H2,1H3,(H,23,25)