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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(1-ethylsulfonyl-2-oxidanylidene-azepan-3-yl)piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(1-ethylsulfonyl-2-oxo-azepan-3-yl)piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-(1-ethylsulfonyl-2-oxo-3-azepanyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-(1-ethylsulfonyl-2-oxoazepan-3-yl)piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(1-esyl-2-keto-azepan-3-yl)piperazine-1-carboxamide Formula: C22H29ClN6O4S MolecularWeight: 509.02146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN6O4S/c1-2-34(32,33)29-8-4-3-5-17(21(29)30)26-22(31)28-11-9-27(10-12-28)19-14-20(24)25-18-13-15(23)6-7-16(18)19/h6-7,13-14,17H,2-5,8-12H2,1H3,(H2,24,25)(H,26,31)