ethyl 4,6-bis(chloranyl)-1-(4-methylphenyl)sulfonyl-3-[(E)-3-oxidanylidene-3-(phenethylamino)-2-phenyl-prop-1-enyl]indole-2-carboxylate

Systemtic Name: ethyl 4,6-bis(chloranyl)-1-(4-methylphenyl)sulfonyl-3-[(E)-3-oxidanylidene-3-(phenethylamino)-2-phenyl-prop-1-enyl]indole-2-carboxylate Openeye Name: ethyl 4,6-dichloro-3-[(E)-3-oxo-3-(phenethylamino)-2-phenyl-prop-1-enyl]-1-(p-tolylsulfonyl)indole-2-carboxylate CAS Name: 4,6-dichloro-1-(4-methylphenyl)sulfonyl-3-[(E)-3-oxo-3-(phenethylamino)-2-phenylprop-1-enyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dichloro-1-(4-methylphenyl)sulfonyl-3-[(E)-3-oxo-3-(phenethylamino)-2-phenylprop-1-enyl]indole-2-carboxylate Traditional Name: 4,6-dichloro-3-[(E)-3-keto-3-(phenethylamino)-2-phenyl-prop-1-enyl]-1-tosyl-indole-2-carboxylic acid ethyl ester Formula: C35H30Cl2N2O5S MolecularWeight: 661.5941

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C(C=C2N1S(=O)(=O)C3=CC=C(C=C3)C)Cl)Cl)C=C(C4=CC=CC=C4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C(C=C2N1S(=O)(=O)C3=CC=C(C=C3)C)Cl)Cl)/C=C(\C4=CC=CC=C4)/C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C35H30Cl2N2O5S/c1-3-44-35(41)33-29(22-28(25-12-8-5-9-13-25)34(40)38-19-18-24-10-6-4-7-11-24)32-30(37)20-26(36)21-31(32)39(33)45(42,43)27-16-14-23(2)15-17-27/h4-17,20-22H,3,18-19H2,1-2H3,(H,38,40)/b28-22+