[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(3-chlorophenyl)-2-propenoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-chlorophenyl)acrylic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C=CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)/C=C/C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN2O5S/c22-17-6-3-5-16(13-17)9-10-21(26)29-15-20(25)23-18-7-4-8-19(14-18)30(27,28)24-11-1-2-12-24/h3-10,13-14H,1-2,11-12,15H2,(H,23,25)/b10-9+