3-(4-carbamimidoylphenyl)-2-[3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-pyridin-1-yl]propanoic acid

Systemtic Name: 3-(4-carbamimidoylphenyl)-2-[3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-pyridin-1-yl]propanoic acid Openeye Name: 3-(4-carbamimidoylphenyl)-2-[3-(2-naphthylsulfonylamino)-2-oxo-1-pyridyl]propanoic acid CAS Name: 3-(4-carbamimidoylphenyl)-2-[3-(2-naphthalenylsulfonylamino)-2-oxo-1-pyridinyl]propanoic acid IUPAC Name: 3-(4-carbamimidoylphenyl)-2-[3-(naphthalen-2-ylsulfonylamino)-2-oxopyridin-1-yl]propanoic acid Traditional Name: 3-(4-amidinophenyl)-2-[2-keto-3-(2-naphthylsulfonylamino)-1-pyridyl]propionic acid Formula: C25H22N4O5S MolecularWeight: 490.53098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC=CN(C3=O)C(CC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC=CN(C3=O)C(CC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H22N4O5S/c26-23(27)18-9-7-16(8-10-18)14-22(25(31)32)29-13-3-6-21(24(29)30)28-35(33,34)20-12-11-17-4-1-2-5-19(17)15-20/h1-13,15,22,28H,14H2,(H3,26,27)(H,31,32)