(2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: (2,4-dimethylbenzyl)-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C

InChI

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