sodium 2-[4-(phenylmethoxycarbonylamino)butanoylamino]ethanesulfonate

Systemtic Name: sodium 2-[4-(phenylmethoxycarbonylamino)butanoylamino]ethanesulfonate Openeye Name: sodium 2-[4-(benzyloxycarbonylamino)butanoylamino]ethanesulfonate CAS Name: sodium 2-[[1-oxo-4-(phenylmethoxycarbonylamino)butyl]amino]ethanesulfonate IUPAC Name: sodium 2-[4-(phenylmethoxycarbonylamino)butanoylamino]ethanesulfonate Traditional Name: sodium 2-[4-(benzyloxycarbonylamino)butanoylamino]ethanesulfonate Formula: C14H19N2NaO6S MolecularWeight: 366.36523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(=O)NCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC(=O)NCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H20N2O6S.Na/c17-13(15-9-10-23(19,20)21)7-4-8-16-14(18)22-11-12-5-2-1-3-6-12;/h1-3,5-6H,4,7-11H2,(H,15,17)(H,16,18)(H,19,20,21);/q;+1/p-1