1-ethyl-4-(5-methoxypyrimidin-4-yl)-5-(methylsulfamoylmethyl)-3-piperazin-1-yl-indole-2-carboxylic acid

Systemtic Name: 1-ethyl-4-(5-methoxypyrimidin-4-yl)-5-(methylsulfamoylmethyl)-3-piperazin-1-yl-indole-2-carboxylic acid Openeye Name: 1-ethyl-4-(5-methoxypyrimidin-4-yl)-5-(methylsulfamoylmethyl)-3-piperazin-1-yl-indole-2-carboxylic acid CAS Name: 1-ethyl-4-(5-methoxy-4-pyrimidinyl)-5-(methylsulfamoylmethyl)-3-(1-piperazinyl)-2-indolecarboxylic acid IUPAC Name: 1-ethyl-4-(5-methoxypyrimidin-4-yl)-5-(methylsulfamoylmethyl)-3-piperazin-1-ylindole-2-carboxylic acid Traditional Name: 1-ethyl-4-(5-methoxypyrimidin-4-yl)-5-(methylsulfamoylmethyl)-3-piperazino-indole-2-carboxylic acid Formula: C22H28N6O5S MolecularWeight: 488.55992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C=C2)CS(=O)(=O)NC)C3=NC=NC=C3OC)C(=C1C(=O)O)N4CCNCC4

Isomeric SMILES

CCN1C2=C(C(=C(C=C2)CS(=O)(=O)NC)C3=NC=NC=C3OC)C(=C1C(=O)O)N4CCNCC4

InChI

InChI=1S/C22H28N6O5S/c1-4-28-15-6-5-14(12-34(31,32)23-2)17(19-16(33-3)11-25-13-26-19)18(15)20(21(28)22(29)30)27-9-7-24-8-10-27/h5-6,11,13,23-24H,4,7-10,12H2,1-3H3,(H,29,30)