4-[[(4-azanylquinolin-1-ium-3-yl)carbonylamino]carbamoyl]-N-cyclopropyl-benzenesulfonamide

Systemtic Name: 4-[[(4-azanylquinolin-1-ium-3-yl)carbonylamino]carbamoyl]-N-cyclopropyl-benzenesulfonamide Openeye Name: 4-[[(4-aminoquinolin-1-ium-3-carbonyl)amino]carbamoyl]-N-cyclopropyl-benzenesulfonamide CAS Name: 4-[[[(4-amino-3-quinolin-1-iumyl)-oxomethyl]hydrazo]-oxomethyl]-N-cyclopropylbenzenesulfonamide IUPAC Name: 4-[[(4-aminoquinolin-1-ium-3-carbonyl)amino]carbamoyl]-N-cyclopropylbenzenesulfonamide Traditional Name: 4-[[(4-aminoquinolin-1-ium-3-carbonyl)amino]carbamoyl]-N-cyclopropyl-benzenesulfonamide Formula: C20H20N5O4S+ MolecularWeight: 426.4689

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=C(C4=CC=CC=C4[NH+]=C3)N

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=C(C4=CC=CC=C4[NH+]=C3)N

InChI

InChI=1S/C20H19N5O4S/c21-18-15-3-1-2-4-17(15)22-11-16(18)20(27)24-23-19(26)12-5-9-14(10-6-12)30(28,29)25-13-7-8-13/h1-6,9-11,13,25H,7-8H2,(H2,21,22)(H,23,26)(H,24,27)/p+1