dimethyl-[[4-[[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[[(3-pyrrolidinosulfonylbenzoyl)amino]methyl]benzyl]ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O3S/c1-23(2)16-18-10-8-17(9-11-18)15-22-21(25)19-6-5-7-20(14-19)28(26,27)24-12-3-4-13-24/h5-11,14H,3-4,12-13,15-16H2,1-2H3,(H,22,25)/p+1