4-[1-(2-methoxyethanoyl)-3-(4-methylsulfanylphenyl)carbonyl-4-phenyl-5-piperazin-1-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[1-(2-methoxyethanoyl)-3-(4-methylsulfanylphenyl)carbonyl-4-phenyl-5-piperazin-1-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 4-[1-(2-methoxyacetyl)-3-(4-methylsulfanylbenzoyl)-4-phenyl-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile CAS Name: 4-[1-(2-methoxy-1-oxoethyl)-3-[[4-(methylthio)phenyl]-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-4-phenyl-2-pyrrolidinyl]benzonitrile IUPAC Name: 4-[1-(2-methoxyacetyl)-3-(4-methylsulfanylbenzoyl)-4-phenyl-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Traditional Name: 4-[1-(2-methoxyacetyl)-3-[4-(methylthio)benzoyl]-4-phenyl-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Formula: C33H34N4O4S MolecularWeight: 582.71246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)SC)C5=CC=C(C=C5)C#N

Isomeric SMILES

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)SC)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C33H34N4O4S/c1-41-21-27(38)37-30(24-10-8-22(20-34)9-11-24)29(32(39)25-12-14-26(42-2)15-13-25)28(23-6-4-3-5-7-23)31(37)33(40)36-18-16-35-17-19-36/h3-15,28-31,35H,16-19,21H2,1-2H3