(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) (E)-3-(4-indolin-1-ylsulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-propenoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-(4-indolin-1-ylsulfonylphenyl)acrylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C=CC(=O)OC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)OC(C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C25H22N2O5S/c26-25(29)24(20-7-2-1-3-8-20)32-23(28)15-12-18-10-13-21(14-11-18)33(30,31)27-17-16-19-6-4-5-9-22(19)27/h1-15,24H,16-17H2,(H2,26,29)/b15-12+