3-[2-(3-azanylpropyl)-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-(naphthalen-1-ylsulfonylamino)propanoic acid

Systemtic Name: 3-[2-(3-azanylpropyl)-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-(naphthalen-1-ylsulfonylamino)propanoic acid Openeye Name: 3-[2-(3-aminopropyl)-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-naphthylsulfonylamino)propanoic acid CAS Name: 3-[2-(3-aminopropyl)-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-naphthalenylsulfonylamino)propanoic acid IUPAC Name: 3-[2-(3-aminopropyl)-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(naphthalen-1-ylsulfonylamino)propanoic acid Traditional Name: 3-[2-(3-aminopropyl)-3-keto-4H-1,4-benzoxazin-6-yl]-2-(1-naphthylsulfonylamino)propionic acid Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CC3=CC4=C(C=C3)OC(C(=O)N4)CCCN)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CC3=CC4=C(C=C3)OC(C(=O)N4)CCCN)C(=O)O

InChI

InChI=1S/C24H25N3O6S/c25-12-4-8-21-23(28)26-18-13-15(10-11-20(18)33-21)14-19(24(29)30)27-34(31,32)22-9-3-6-16-5-1-2-7-17(16)22/h1-3,5-7,9-11,13,19,21,27H,4,8,12,14,25H2,(H,26,28)(H,29,30)