4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-3-[2-(phenylsulfonylamino)ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-3-[2-(phenylsulfonylamino)ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-(benzenesulfonamido)ethyl]-4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-indole-2-carboxylic acid CAS Name: 3-[2-(benzenesulfonamido)ethyl]-4-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-(benzenesulfonamido)ethyl]-4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-indole-2-carboxylic acid Traditional Name: 4-[6-(4-amidinophenyl)pyridazin-3-yl]-3-[2-(benzenesulfonamido)ethyl]-1H-indole-2-carboxylic acid Formula: C28H24N6O4S MolecularWeight: 540.59296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCC2=C(NC3=CC=CC(=C32)C4=NN=C(C=C4)C5=CC=C(C=C5)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCC2=C(NC3=CC=CC(=C32)C4=NN=C(C=C4)C5=CC=C(C=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C28H24N6O4S/c29-27(30)18-11-9-17(10-12-18)22-13-14-23(34-33-22)20-7-4-8-24-25(20)21(26(32-24)28(35)36)15-16-31-39(37,38)19-5-2-1-3-6-19/h1-14,31-32H,15-16H2,(H3,29,30)(H,35,36)