methyl N-[2-chloranyl-4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propylsulfonyl-oxidanyl-amino]phenyl]carbamate

Systemtic Name: methyl N-[2-chloranyl-4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propylsulfonyl-oxidanyl-amino]phenyl]carbamate Openeye Name: methyl N-[2-chloro-4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propylsulfonyl-hydroxy-amino]phenyl]carbamate CAS Name: N-[2-chloro-4-[3-(1,4-dimethyl-1-piperazin-1-iumyl)propylsulfonyl-hydroxyamino]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-chloro-4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propylsulfonyl-hydroxyamino]phenyl]carbamate Traditional Name: N-[2-chloro-4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propylsulfonyl-hydroxy-amino]phenyl]carbamic acid methyl ester Formula: C17H28ClN4O5S+ MolecularWeight: 435.94602

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(C)CCCS(=O)(=O)N(C2=CC(=C(C=C2)NC(=O)OC)Cl)O

Isomeric SMILES

CN1CC[N+](CC1)(C)CCCS(=O)(=O)N(C2=CC(=C(C=C2)NC(=O)OC)Cl)O

InChI

InChI=1S/C17H27ClN4O5S/c1-20-7-10-22(2,11-8-20)9-4-12-28(25,26)21(24)14-5-6-16(15(18)13-14)19-17(23)27-3/h5-6,13,24H,4,7-12H2,1-3H3/p+1