ethyl (E)-2-cyano-3-[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylanilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-[(3R)-3-methylpiperidino]sulfonylanilino]acrylic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C)/C#N

InChI

InChI=1S/C18H23N3O4S/c1-3-25-18(22)15(11-19)12-20-16-6-8-17(9-7-16)26(23,24)21-10-4-5-14(2)13-21/h6-9,12,14,20H,3-5,10,13H2,1-2H3/b15-12+/t14-/m1/s1