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

Systemtic Name: 3-[(phenylmethyl)carbamoylamino]propane-1-sulfonic acid Openeye Name: 3-(benzylcarbamoylamino)propane-1-sulfonic acid CAS Name: 3-[[oxo-[(phenylmethyl)amino]methyl]amino]-1-propanesulfonic acid IUPAC Name: 3-(benzylcarbamoylamino)propane-1-sulfonic acid Traditional Name: 3-(benzylcarbamoylamino)propane-1-sulfonic acid Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C11H16N2O4S/c14-11(12-7-4-8-18(15,16)17)13-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,12,13,14)(H,15,16,17)