methyl 4-[[2-[(4-bromophenyl)sulfonylamino]-1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[2-[(4-bromophenyl)sulfonylamino]-1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-[(4-bromophenyl)sulfonylamino]-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-[(4-bromophenyl)sulfonylamino]-1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]ethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-bromophenyl)sulfonylamino]-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]ethyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-(brosylamino)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]ethyl]thio]methyl]benzoic acid methyl ester Formula: C34H28BrClN2O4S2 MolecularWeight: 708.08412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC(CNS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC(=C3)C=CC4=NC5=C(C=CC(=C5)Cl)C=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC(CNS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC(=C3)/C=C/C4=NC5=C(C=CC(=C5)Cl)C=C4

InChI

InChI=1S/C34H28BrClN2O4S2/c1-42-34(39)26-8-5-24(6-9-26)22-43-33(21-37-44(40,41)31-17-12-28(35)13-18-31)27-4-2-3-23(19-27)7-15-30-16-11-25-10-14-29(36)20-32(25)38-30/h2-20,33,37H,21-22H2,1H3/b15-7+