5-azanyl-2-(propylaminomethyl)benzenesulfonic acid

Systemtic Name: 5-azanyl-2-(propylaminomethyl)benzenesulfonic acid Openeye Name: 5-amino-2-(propylaminomethyl)benzenesulfonic acid CAS Name: 5-amino-2-(propylaminomethyl)benzenesulfonic acid IUPAC Name: 5-amino-2-(propylaminomethyl)benzenesulfonic acid Traditional Name: 5-amino-2-(propylaminomethyl)besylic acid Formula: C10H16N2O3S MolecularWeight: 244.31064

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=C(C=C(C=C1)N)S(=O)(=O)O

Isomeric SMILES

CCCNCC1=C(C=C(C=C1)N)S(=O)(=O)O

InChI

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