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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-oxidanylidene-1-(phenylsulfonyl)azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(benzenesulfonyl)-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[1-(benzenesulfonyl)-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[1-(benzenesulfonyl)-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(1-besyl-2-keto-azepan-3-yl)piperazine-1-carboxamide Formula: C26H29ClN6O4S MolecularWeight: 557.06426

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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)S(=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)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H29ClN6O4S/c27-18-9-10-20-22(16-18)29-24(28)17-23(20)31-12-14-32(15-13-31)26(35)30-21-8-4-5-11-33(25(21)34)38(36,37)19-6-2-1-3-7-19/h1-3,6-7,9-10,16-17,21H,4-5,8,11-15H2,(H2,28,29)(H,30,35)