3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-2-oxidanylidene-N-(phenylsulfonyl)azepane-1-carboxamide

Systemtic Name: 3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-2-oxidanylidene-N-(phenylsulfonyl)azepane-1-carboxamide Openeye Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-(benzenesulfonyl)-2-oxo-azepane-1-carboxamide CAS Name: 3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-N-(benzenesulfonyl)-2-oxo-1-azepanecarboxamide IUPAC Name: 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-N-(benzenesulfonyl)-2-oxoazepane-1-carboxamide Traditional Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-besyl-2-keto-azepane-1-carboxamide Formula: C27H30ClN7O5S MolecularWeight: 600.089

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H30ClN7O5S/c28-18-9-10-20-22(16-18)30-24(29)17-23(20)33-12-14-34(15-13-33)26(37)31-21-8-4-5-11-35(25(21)36)27(38)32-41(39,40)19-6-2-1-3-7-19/h1-3,6-7,9-10,16-17,21H,4-5,8,11-15H2,(H2,29,30)(H,31,37)(H,32,38)