[(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[(5-chloranylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[(5-chloranylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [(1S)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-[(5-chloro-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-chloro-2-thiophenyl)sulfonylamino]benzoic acid [(2S)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-chloro-2-thienyl)sulfonylamino]benzoic acid [(1S)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24ClN3O6S2 MolecularWeight: 514.01476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H24ClN3O6S2/c1-13(19(26)24-21(28)23-15-5-3-2-4-6-15)31-20(27)14-7-9-16(10-8-14)25-33(29,30)18-12-11-17(22)32-18/h7-13,15,25H,2-6H2,1H3,(H2,23,24,26,28)/t13-/m0/s1