diethyl-[[2-[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[(1-methylsulfonylindoline-5-carbonyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[(1-mesylindoline-5-carbonyl)amino]methyl]benzyl]ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O3S/c1-4-24(5-2)16-20-9-7-6-8-19(20)15-23-22(26)18-10-11-21-17(14-18)12-13-25(21)29(3,27)28/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,23,26)/p+1