N-(3-bromanyl-4-methoxy-phenyl)-4-[4-[(7-chloranylquinolin-4-yl)amino]phenyl]sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(3-bromanyl-4-methoxy-phenyl)-4-[4-[(7-chloranylquinolin-4-yl)amino]phenyl]sulfonyl-piperazine-1-carboxamide Openeye Name: N-(3-bromo-4-methoxy-phenyl)-4-[4-[(7-chloro-4-quinolyl)amino]phenyl]sulfonyl-piperazine-1-carboxamide CAS Name: N-(3-bromo-4-methoxyphenyl)-4-[4-[(7-chloro-4-quinolinyl)amino]phenyl]sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(3-bromo-4-methoxyphenyl)-4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonylpiperazine-1-carboxamide Traditional Name: N-(3-bromo-4-methoxy-phenyl)-4-[4-[(7-chloro-4-quinolyl)amino]phenyl]sulfonyl-piperazine-1-carboxamide Formula: C27H25BrClN5O4S MolecularWeight: 630.9405

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)Br

InChI

InChI=1S/C27H25BrClN5O4S/c1-38-26-9-5-20(17-23(26)28)32-27(35)33-12-14-34(15-13-33)39(36,37)21-6-3-19(4-7-21)31-24-10-11-30-25-16-18(29)2-8-22(24)25/h2-11,16-17H,12-15H2,1H3,(H,30,31)(H,32,35)