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

Systemtic Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: (2,4-dimethylbenzyl)-[2-keto-2-(4-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=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

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

InChI

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