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1-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethanoyl]-2,3-dihydroindole-5-sulfonamide

1-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethanoyl]-2,3-dihydroindole-5-sulfonamide

Systemtic Name:1-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethanoyl]-2,3-dihydroindole-5-sulfonamide
Openeye Name:1-[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]acetyl]indoline-5-sulfonamide
CAS Name:1-[2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]-2,3-dihydroindole-5-sulfonamide
IUPAC Name:1-[2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
Traditional Name:1-[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]acetyl]indoline-5-sulfonamide
Formula: C19H24BrN4O3S2+
MolecularWeight: 500.45286
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)S(=O)(=O)N)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(S4)Br


Isomeric SMILES

C1CN(C2=C1C=C(C=C2)S(=O)(=O)N)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(S4)Br


InChI

InChI=1S/C19H23BrN4O3S2/c20-18-4-1-15(28-18)12-22-7-9-23(10-8-22)13-19(25)24-6-5-14-11-16(29(21,26)27)2-3-17(14)24/h1-4,11H,5-10,12-13H2,(H2,21,26,27)/p+1


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