[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C22H29ClN3O4S+ MolecularWeight: 467.00136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O4S/c1-25(14-15-30-18-8-4-2-5-9-18)17-22(27)24-21-16-19(10-11-20(21)23)31(28,29)26-12-6-3-7-13-26/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3,(H,24,27)/p+1