2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-[3-(1-ethyl-4-methyl-piperazin-1-ium-1-yl)propylsulfanyl]-3-methyl-N-oxidanyl-butanamide

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-[3-(1-ethyl-4-methyl-piperazin-1-ium-1-yl)propylsulfanyl]-3-methyl-N-oxidanyl-butanamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-[3-(1-ethyl-4-methyl-piperazin-1-ium-1-yl)propylsulfanyl]-3-methyl-butanehydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-3-[3-(1-ethyl-4-methyl-1-piperazin-1-iumyl)propylthio]-N-hydroxy-3-methylbutanamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-3-[3-(1-ethyl-4-methylpiperazin-1-ium-1-yl)propylsulfanyl]-N-hydroxy-3-methylbutanamide Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-[3-(1-ethyl-4-methyl-piperazin-1-ium-1-yl)propylthio]-3-methyl-butanehydroxamic acid Formula: C26H43N4O5S2+ MolecularWeight: 555.77342

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C)CCCSC(C)(C)C(C(=O)NO)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CC[N+]1(CCN(CC1)C)CCCSC(C)(C)C(C(=O)NO)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C26H42N4O5S2/c1-7-9-20-35-22-11-13-23(14-12-22)37(33,34)29(6)24(25(31)27-32)26(3,4)36-21-10-17-30(8-2)18-15-28(5)16-19-30/h11-14,24H,8,10,15-21H2,1-6H3,(H-,27,31,32)/p+1