(3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-4-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid

Systemtic Name: (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-4-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid Openeye Name: (3S)-3-(2-naphthylsulfonylamino)-4-oxo-4-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid CAS Name: (3S)-3-(2-naphthalenylsulfonylamino)-4-oxo-4-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid IUPAC Name: (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid Traditional Name: (3S)-4-keto-3-(2-naphthylsulfonylamino)-4-[2-(4-sulfamoylphenyl)ethylamino]butyric acid Formula: C22H23N3O7S2 MolecularWeight: 505.56392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC(CC(=O)O)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N[C@@H](CC(=O)O)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H23N3O7S2/c23-33(29,30)18-8-5-15(6-9-18)11-12-24-22(28)20(14-21(26)27)25-34(31,32)19-10-7-16-3-1-2-4-17(16)13-19/h1-10,13,20,25H,11-12,14H2,(H,24,28)(H,26,27)(H2,23,29,30)/t20-/m0/s1