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4-[3-(methylamino)propylamino]benzenesulfonic acid

4-[3-(methylamino)propylamino]benzenesulfonic acid

Systemtic Name:4-[3-(methylamino)propylamino]benzenesulfonic acid
Openeye Name:4-[3-(methylamino)propylamino]benzenesulfonic acid
CAS Name:4-[3-(methylamino)propylamino]benzenesulfonic acid
IUPAC Name:4-[3-(methylamino)propylamino]benzenesulfonic acid
Traditional Name:4-[3-(methylamino)propylamino]besylic acid
Formula: C10H16N2O3S
MolecularWeight: 244.31064
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Descriptors Computed from Structure

Canonical SMILES:

CNCCCNC1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

CNCCCNC1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C10H16N2O3S/c1-11-7-2-8-12-9-3-5-10(6-4-9)16(13,14)15/h3-6,11-12H,2,7-8H2,1H3,(H,13,14,15)


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