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4-(2-acetamidoethylamino)benzenesulfonic acid

4-(2-acetamidoethylamino)benzenesulfonic acid

Systemtic Name:4-(2-acetamidoethylamino)benzenesulfonic acid
Openeye Name:4-(2-acetamidoethylamino)benzenesulfonic acid
CAS Name:4-(2-acetamidoethylamino)benzenesulfonic acid
IUPAC Name:4-(2-acetamidoethylamino)benzenesulfonic acid
Traditional Name:4-(2-acetamidoethylamino)besylic acid
Formula: C10H14N2O4S
MolecularWeight: 258.29416
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

CC(=O)NCCNC1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C10H14N2O4S/c1-8(13)11-6-7-12-9-2-4-10(5-3-9)17(14,15)16/h2-5,12H,6-7H2,1H3,(H,11,13)(H,14,15,16)


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