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

Systemtic Name: methyl-[(4-methylphenyl)methyl]-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-(p-tolylmethyl)ammonium CAS Name: methyl-[(4-methylphenyl)methyl]-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: methyl-[(4-methylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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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

Isomeric SMILES

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

InChI

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