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

Systemtic Name: ethyl 4-chloranyl-2-[[(5S)-6-ethoxy-6-oxidanylidene-5-[(phenylmethyl)amino]hexyl]amino]-5-sulfamoyl-benzoate Openeye Name: ethyl 2-[[(5S)-5-(benzylamino)-6-ethoxy-6-oxo-hexyl]amino]-4-chloro-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-[[(5S)-6-ethoxy-6-oxo-5-[(phenylmethyl)amino]hexyl]amino]-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 2-[[(5S)-5-(benzylamino)-6-ethoxy-6-oxohexyl]amino]-4-chloro-5-sulfamoylbenzoate Traditional Name: 2-[[(5S)-5-(benzylamino)-6-ethoxy-6-keto-hexyl]amino]-4-chloro-5-sulfamoyl-benzoic acid ethyl ester Formula: C24H32ClN3O6S MolecularWeight: 526.04538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1NCCCCC(C(=O)OCC)NCC2=CC=CC=C2)Cl)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1NCCCC[C@@H](C(=O)OCC)NCC2=CC=CC=C2)Cl)S(=O)(=O)N

InChI

InChI=1S/C24H32ClN3O6S/c1-3-33-23(29)18-14-22(35(26,31)32)19(25)15-21(18)27-13-9-8-12-20(24(30)34-4-2)28-16-17-10-6-5-7-11-17/h5-7,10-11,14-15,20,27-28H,3-4,8-9,12-13,16H2,1-2H3,(H2,26,31,32)/t20-/m0/s1