ethyl 2-chloranyl-4-[[(5S)-6-ethoxy-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-5-sulfamoyl-benzoate

Systemtic Name: ethyl 2-chloranyl-4-[[(5S)-6-ethoxy-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-5-sulfamoyl-benzoate Openeye Name: ethyl 4-[[(5S)-5-(benzyloxycarbonylamino)-6-ethoxy-6-oxo-hexyl]amino]-2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-4-[[(5S)-6-ethoxy-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]amino]-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[[(5S)-6-ethoxy-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]amino]-5-sulfamoylbenzoate Traditional Name: 4-[[(5S)-5-(benzyloxycarbonylamino)-6-ethoxy-6-keto-hexyl]amino]-2-chloro-5-sulfamoyl-benzoic acid ethyl ester Formula: C25H32ClN3O8S MolecularWeight: 570.05488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1Cl)NCCCCC(C(=O)OCC)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1Cl)NCCCC[C@@H](C(=O)OCC)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C25H32ClN3O8S/c1-3-35-23(30)18-14-22(38(27,33)34)21(15-19(18)26)28-13-9-8-12-20(24(31)36-4-2)29-25(32)37-16-17-10-6-5-7-11-17/h5-7,10-11,14-15,20,28H,3-4,8-9,12-13,16H2,1-2H3,(H,29,32)(H2,27,33,34)/t20-/m0/s1