[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-(methylsulfonylamino)benzenesulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-(methylsulfonylamino)benzenesulfonate Openeye Name: [3-(1-methyl-4-piperidyl)-1H-indol-5-yl] 4-(methanesulfonamido)benzenesulfonate CAS Name: 4-(methanesulfonamido)benzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1H-indol-5-yl] ester IUPAC Name: [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 4-(methanesulfonamido)benzenesulfonate Traditional Name: 4-(methanesulfonamido)benzenesulfonic acid [3-(1-methyl-4-piperidyl)-1H-indol-5-yl] ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C21H25N3O5S2/c1-24-11-9-15(10-12-24)20-14-22-21-8-5-17(13-19(20)21)29-31(27,28)18-6-3-16(4-7-18)23-30(2,25)26/h3-8,13-15,22-23H,9-12H2,1-2H3