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

Systemtic Name: ethyl (E)-2-cyano-3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-[(4-methyl-1-piperidyl)sulfonyl]anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-(4-methylpiperidin-1-yl)sulfonylanilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(4-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)N2CCC(CC2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C)/C#N

InChI

InChI=1S/C18H23N3O4S/c1-3-25-18(22)15(12-19)13-20-16-4-6-17(7-5-16)26(23,24)21-10-8-14(2)9-11-21/h4-7,13-14,20H,3,8-11H2,1-2H3/b15-13+