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3-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]propyl 4-methylbenzenesulfonate

3-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]propyl 4-methylbenzenesulfonate

Systemtic Name:3-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]propyl 4-methylbenzenesulfonate
Openeye Name:3-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]propyl 4-methylbenzenesulfonate
CAS Name:4-methylbenzenesulfonic acid 3-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]propyl ester
IUPAC Name:3-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]propyl 4-methylbenzenesulfonate
Traditional Name:4-methylbenzenesulfonic acid 3-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]propyl ester
Formula: C20H24N2O5S2
MolecularWeight: 436.54496
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CNC3=C2C=C(C=C3)CS(=O)(=O)NC


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CNC3=C2C=C(C=C3)CS(=O)(=O)NC


InChI

InChI=1S/C20H24N2O5S2/c1-15-5-8-18(9-6-15)29(25,26)27-11-3-4-17-13-22-20-10-7-16(12-19(17)20)14-28(23,24)21-2/h5-10,12-13,21-22H,3-4,11,14H2,1-2H3


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