2-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethylamino]propanedioic acid

Systemtic Name: 2-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethylamino]propanedioic acid Openeye Name: 2-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethylamino]propanedioic acid CAS Name: 2-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethylamino]propanedioic acid IUPAC Name: 2-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethylamino]propanedioic acid Traditional Name: 2-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethylamino]malonic acid Formula: C15H19N3O6S MolecularWeight: 369.39286

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCNC(C(=O)O)C(=O)O

Isomeric SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCNC(C(=O)O)C(=O)O

InChI

InChI=1S/C15H19N3O6S/c1-16-25(23,24)8-9-2-3-12-11(6-9)10(7-18-12)4-5-17-13(14(19)20)15(21)22/h2-3,6-7,13,16-18H,4-5,8H2,1H3,(H,19,20)(H,21,22)