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

Systemtic Name: 2-[[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl]amino]ethyl-dimethyl-ammonium Formula: C17H28ClN4O3S+ MolecularWeight: 403.94722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

C[NH+](C)CCNCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C17H27ClN4O3S/c1-21(2)11-8-19-13-17(23)20-16-12-14(6-7-15(16)18)26(24,25)22-9-4-3-5-10-22/h6-7,12,19H,3-5,8-11,13H2,1-2H3,(H,20,23)/p+1