1-[[4-[[4-methoxy-2-(1-sulfoethylamino)phenyl]sulfamoyl]phenyl]amino]ethanesulfonic acid

Systemtic Name: 1-[[4-[[4-methoxy-2-(1-sulfoethylamino)phenyl]sulfamoyl]phenyl]amino]ethanesulfonic acid Openeye Name: 1-[4-[[4-methoxy-2-(1-sulfoethylamino)phenyl]sulfamoyl]anilino]ethanesulfonic acid CAS Name: 1-[4-[[4-methoxy-2-(1-sulfoethylamino)phenyl]sulfamoyl]anilino]ethanesulfonic acid IUPAC Name: 1-[4-[[4-methoxy-2-(1-sulfoethylamino)phenyl]sulfamoyl]anilino]ethanesulfonic acid Traditional Name: 1-[4-[[4-methoxy-2-(1-sulfoethylamino)phenyl]sulfamoyl]anilino]ethanesulfonic acid Formula: C17H23N3O9S3 MolecularWeight: 509.57422

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)OC)NC(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)OC)NC(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H23N3O9S3/c1-11(31(23,24)25)18-13-4-7-15(8-5-13)30(21,22)20-16-9-6-14(29-3)10-17(16)19-12(2)32(26,27)28/h4-12,18-20H,1-3H3,(H,23,24,25)(H,26,27,28)