N-[(4-carbamimidoylphenyl)methyl]-2-[2-oxidanylidene-3-(phenylsulfonylamino)quinolin-1-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-oxidanylidene-3-(phenylsulfonylamino)quinolin-1-yl]ethanamide Openeye Name: 2-[3-(benzenesulfonamido)-2-oxo-1-quinolyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[3-(benzenesulfonamido)-2-oxo-1-quinolinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(benzenesulfonamido)-2-oxoquinolin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(benzenesulfonamido)-2-keto-1-quinolyl]acetamide Formula: C25H23N5O4S MolecularWeight: 489.54622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H23N5O4S/c26-24(27)18-12-10-17(11-13-18)15-28-23(31)16-30-22-9-5-4-6-19(22)14-21(25(30)32)29-35(33,34)20-7-2-1-3-8-20/h1-14,29H,15-16H2,(H3,26,27)(H,28,31)