N-(5-chloranyl-2-methoxy-phenyl)-N-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]methanesulfonamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-N-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]methanesulfonamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-N-[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]methanesulfonamide CAS Name: N-(5-chloro-2-methoxyphenyl)-N-[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]methanesulfonamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-N-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]methanesulfonamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-N-[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]methanesulfonamide Formula: C17H27ClN3O4S+ MolecularWeight: 404.93198

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)N(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)N(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C

InChI

InChI=1S/C17H26ClN3O4S/c1-5-19-8-10-20(11-9-19)17(22)13(2)21(26(4,23)24)15-12-14(18)6-7-16(15)25-3/h6-7,12-13H,5,8-11H2,1-4H3/p+1/t13-/m0/s1