(phenylmethyl) 2-[1-[[1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-[(4-chlorophenyl)sulfonylamino]propyl]sulfanylmethyl]cyclopropyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-[[1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-[(4-chlorophenyl)sulfonylamino]propyl]sulfanylmethyl]cyclopropyl]ethanoate Openeye Name: benzyl 2-[1-[[3-[(4-chlorophenyl)sulfonylamino]-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate CAS Name: 2-[1-[[[3-[(4-chlorophenyl)sulfonylamino]-1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]propyl]thio]methyl]cyclopropyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-[[3-[(4-chlorophenyl)sulfonylamino]-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate Traditional Name: 2-[1-[[[3-[(4-chlorophenyl)sulfonylamino]-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]propyl]thio]methyl]cyclopropyl]acetic acid benzyl ester Formula: C39H36Cl2N2O4S2 MolecularWeight: 731.75014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CC(=O)OCC2=CC=CC=C2)CSC(CCNS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC(=C4)C=CC5=NC6=C(C=CC(=C6)Cl)C=C5

Isomeric SMILES

C1CC1(CC(=O)OCC2=CC=CC=C2)CSC(CCNS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC(=C4)/C=C/C5=NC6=C(C=CC(=C6)Cl)C=C5

InChI

InChI=1S/C39H36Cl2N2O4S2/c40-32-13-17-35(18-14-32)49(45,46)42-22-19-37(48-27-39(20-21-39)25-38(44)47-26-29-5-2-1-3-6-29)31-8-4-7-28(23-31)9-15-34-16-11-30-10-12-33(41)24-36(30)43-34/h1-18,23-24,37,42H,19-22,25-27H2/b15-9+