3-azanyl-3-[2-(naphthalen-1-ylsulfonylamino)pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-azanyl-3-[2-(naphthalen-1-ylsulfonylamino)pyrimidin-5-yl]propanoic acid Openeye Name: 3-amino-3-[2-(1-naphthylsulfonylamino)pyrimidin-5-yl]propanoic acid CAS Name: 3-amino-3-[2-(1-naphthalenylsulfonylamino)-5-pyrimidinyl]propanoic acid IUPAC Name: 3-amino-3-[2-(naphthalen-1-ylsulfonylamino)pyrimidin-5-yl]propanoic acid Traditional Name: 3-amino-3-[2-(1-naphthylsulfonylamino)pyrimidin-5-yl]propionic acid Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC3=NC=C(C=N3)C(CC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC3=NC=C(C=N3)C(CC(=O)O)N

InChI

InChI=1S/C17H16N4O4S/c18-14(8-16(22)23)12-9-19-17(20-10-12)21-26(24,25)15-7-3-5-11-4-1-2-6-13(11)15/h1-7,9-10,14H,8,18H2,(H,22,23)(H,19,20,21)