methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]-(2-phenoxyethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]-(2-phenoxyethyl)azanium Openeye Name: methyl-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]-(2-phenoxyethyl)ammonium CAS Name: methyl-[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]-(2-phenoxyethyl)ammonium IUPAC Name: methyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-(2-phenoxyethyl)azanium Traditional Name: [2-keto-2-(3-piperidinosulfonylanilino)ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H29N3O4S/c1-24(15-16-29-20-10-4-2-5-11-20)18-22(26)23-19-9-8-12-21(17-19)30(27,28)25-13-6-3-7-14-25/h2,4-5,8-12,17H,3,6-7,13-16,18H2,1H3,(H,23,26)/p+1