N-[3-azanyl-4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propylsulfonyl-oxidanyl-amino]phenyl]ethanamide

Systemtic Name: N-[3-azanyl-4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propylsulfonyl-oxidanyl-amino]phenyl]ethanamide Openeye Name: N-[3-amino-4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propylsulfonyl-hydroxy-amino]phenyl]acetamide CAS Name: N-[3-amino-4-[3-(1,4-dimethyl-1-piperazin-1-iumyl)propylsulfonyl-hydroxyamino]phenyl]acetamide IUPAC Name: N-[3-amino-4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propylsulfonyl-hydroxyamino]phenyl]acetamide Traditional Name: N-[3-amino-4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propylsulfonyl-hydroxy-amino]phenyl]acetamide Formula: C17H30N5O4S+ MolecularWeight: 400.5162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)N(O)S(=O)(=O)CCC[N+]2(CCN(CC2)C)C)N

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N(O)S(=O)(=O)CCC[N+]2(CCN(CC2)C)C)N

InChI

InChI=1S/C17H29N5O4S/c1-14(23)19-15-5-6-17(16(18)13-15)21(24)27(25,26)12-4-9-22(3)10-7-20(2)8-11-22/h5-6,13,24H,4,7-12,18H2,1-3H3/p+1