sodium 4-[4-(propan-2-yloxycarbonylamino)phenyl]benzenesulfonate

Systemtic Name: sodium 4-[4-(propan-2-yloxycarbonylamino)phenyl]benzenesulfonate Openeye Name: sodium 4-[4-(isopropoxycarbonylamino)phenyl]benzenesulfonate CAS Name: sodium 4-[4-[[oxo(propan-2-yloxy)methyl]amino]phenyl]benzenesulfonate IUPAC Name: sodium 4-[4-(propan-2-yloxycarbonylamino)phenyl]benzenesulfonate Traditional Name: sodium 4-[4-(isopropoxycarbonylamino)phenyl]besylate Formula: C16H16NNaO5S MolecularWeight: 357.35671

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)OC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H17NO5S.Na/c1-11(2)22-16(18)17-14-7-3-12(4-8-14)13-5-9-15(10-6-13)23(19,20)21;/h3-11H,1-2H3,(H,17,18)(H,19,20,21);/q;+1/p-1