4-chloranyl-N-propan-2-yl-3-[(quinolin-2-ylcarbonylamino)carbamoyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-propan-2-yl-3-[(quinolin-2-ylcarbonylamino)carbamoyl]benzenesulfonamide Openeye Name: 4-chloro-N-isopropyl-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide CAS Name: 4-chloro-3-[oxo-[[oxo(2-quinolinyl)methyl]hydrazo]methyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-chloro-N-propan-2-yl-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide Traditional Name: 4-chloro-N-isopropyl-3-[(quinaldoylamino)carbamoyl]benzenesulfonamide Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NNC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NNC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H19ClN4O4S/c1-12(2)25-30(28,29)14-8-9-16(21)15(11-14)19(26)23-24-20(27)18-10-7-13-5-3-4-6-17(13)22-18/h3-12,25H,1-2H3,(H,23,26)(H,24,27)