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

Systemtic Name: methyl-[(2-methylphenyl)methyl]-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: methyl-(o-tolylmethyl)-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: methyl-[(2-methylphenyl)methyl]-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: [2-keto-2-(4-piperidinosulfonylanilino)ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-18-8-4-5-9-19(18)16-24(2)17-22(26)23-20-10-12-21(13-11-20)29(27,28)25-14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,23,26)/p+1