4-(phenethyloxycarbonylamino)butane-1-sulfonic acid

Systemtic Name: 4-(phenethyloxycarbonylamino)butane-1-sulfonic acid Openeye Name: 4-(phenethyloxycarbonylamino)butane-1-sulfonic acid CAS Name: 4-[[oxo(phenethyloxy)methyl]amino]-1-butanesulfonic acid IUPAC Name: 4-(phenethyloxycarbonylamino)butane-1-sulfonic acid Traditional Name: 4-(phenethyloxycarbonylamino)butane-1-sulfonic acid Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)NCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)NCCCCS(=O)(=O)O

InChI

InChI=1S/C13H19NO5S/c15-13(14-9-4-5-11-20(16,17)18)19-10-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,14,15)(H,16,17,18)