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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-2-24(17-19-9-5-3-6-10-19)18-22(26)23-20-11-13-21(14-12-20)29(27,28)25-15-7-4-8-16-25/h3,5-6,9-14H,2,4,7-8,15-18H2,1H3,(H,23,26)/p+1