[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-[(4-chlorophenyl)sulfonylamino]cyclohexanecarboxylate CAS Name: 1-[(4-chlorophenyl)sulfonylamino]-1-cyclohexanecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate Traditional Name: 1-[(4-chlorophenyl)sulfonylamino]cyclohexanecarboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1(CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C#CCNC(=O)COC(=O)C1(CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN2O5S/c1-2-12-20-16(22)13-26-17(23)18(10-4-3-5-11-18)21-27(24,25)15-8-6-14(19)7-9-15/h1,6-9,21H,3-5,10-13H2,(H,20,22)