[2-[[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]methyl]benzyl]-diethyl-ammonium Formula: C23H31ClN3O3S+ MolecularWeight: 465.02854

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H30ClN3O3S/c1-3-26(4-2)17-20-10-6-5-9-19(20)16-25-23(28)18-11-12-21(24)22(15-18)31(29,30)27-13-7-8-14-27/h5-6,9-12,15H,3-4,7-8,13-14,16-17H2,1-2H3,(H,25,28)/p+1