4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(1-methylsulfonyl-2-oxidanylidene-azepan-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(1-methylsulfonyl-2-oxidanylidene-azepan-3-yl)piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(1-methylsulfonyl-2-oxo-azepan-3-yl)piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-(1-methylsulfonyl-2-oxo-3-azepanyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-(1-methylsulfonyl-2-oxoazepan-3-yl)piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(2-keto-1-mesyl-azepan-3-yl)piperazine-1-carboxamide Formula: C21H27ClN6O4S MolecularWeight: 494.99488

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

Isomeric SMILES

CS(=O)(=O)N1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

InChI

InChI=1S/C21H27ClN6O4S/c1-33(31,32)28-7-3-2-4-16(20(28)29)25-21(30)27-10-8-26(9-11-27)18-13-19(23)24-17-12-14(22)5-6-15(17)18/h5-6,12-13,16H,2-4,7-11H2,1H3,(H2,23,24)(H,25,30)