ethyl (E)-2-cyano-3-[(3-piperidin-1-ylsulfonylphenyl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(3-piperidin-1-ylsulfonylphenyl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[3-(1-piperidylsulfonyl)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(1-piperidinylsulfonyl)anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(3-piperidin-1-ylsulfonylanilino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-piperidinosulfonylanilino)acrylic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)/C#N

InChI

InChI=1S/C17H21N3O4S/c1-2-24-17(21)14(12-18)13-19-15-7-6-8-16(11-15)25(22,23)20-9-4-3-5-10-20/h6-8,11,13,19H,2-5,9-10H2,1H3/b14-13+