ethyl (E)-2-cyano-3-[[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-(indan-5-ylsulfonylamino)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(indan-5-ylsulfonylamino)anilino]acrylic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(CCC3)C=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(CCC3)C=C2)/C#N

InChI

InChI=1S/C21H21N3O4S/c1-2-28-21(25)17(13-22)14-23-19-8-3-4-9-20(19)24-29(26,27)18-11-10-15-6-5-7-16(15)12-18/h3-4,8-12,14,23-24H,2,5-7H2,1H3/b17-14+