ethyl (E)-2-cyano-3-[[2-[(4-propylphenyl)sulfonylamino]phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[2-[(4-propylphenyl)sulfonylamino]phenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-[(4-propylphenyl)sulfonylamino]anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-[(4-propylphenyl)sulfonylamino]anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-[(4-propylphenyl)sulfonylamino]anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-[(4-propylphenyl)sulfonylamino]anilino]acrylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2NC=C(C#N)C(=O)OCC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C21H23N3O4S/c1-3-7-16-10-12-18(13-11-16)29(26,27)24-20-9-6-5-8-19(20)23-15-17(14-22)21(25)28-4-2/h5-6,8-13,15,23-24H,3-4,7H2,1-2H3/b17-15+