3-[(phenylmethyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(phenylmethyl)amino]propane-1-sulfonic acid Openeye Name: 3-(benzylamino)propane-1-sulfonic acid CAS Name: 3-[(phenylmethyl)amino]-1-propanesulfonic acid IUPAC Name: 3-(benzylamino)propane-1-sulfonic acid Traditional Name: 3-(benzylamino)propane-1-sulfonic acid Formula: C10H15NO3S MolecularWeight: 229.296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCCS(=O)(=O)O

InChI

InChI=1S/C10H15NO3S/c12-15(13,14)8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,12,13,14)