sodium [4-(phenylmethoxycarbonylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: sodium [4-(phenylmethoxycarbonylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: sodium [4-(benzyloxycarbonylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: sodium [4-(phenylmethoxycarbonylamino)phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: sodium [4-(phenylmethoxycarbonylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: sodium [4-(benzyloxycarbonylamino)phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C18H15N4NaO4S MolecularWeight: 406.39087

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3.[Na+]

InChI

InChI=1S/C18H16N4O4S.Na/c23-18(26-13-14-5-2-1-3-6-14)21-15-7-9-16(10-8-15)27(24,25)22-17-19-11-4-12-20-17;/h1-12H,13H2,(H2,19,20,21,22,23);/q;+1/p-1