ethyl (E)-2-cyano-3-[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-(dimethylamino)-5-(1-piperidylsulfonyl)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(dimethylamino)-5-piperidinosulfonyl-anilino]acrylic acid ethyl ester Formula: C19H26N4O4S MolecularWeight: 406.49914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4S/c1-4-27-19(24)15(13-20)14-21-17-12-16(8-9-18(17)22(2)3)28(25,26)23-10-6-5-7-11-23/h8-9,12,14,21H,4-7,10-11H2,1-3H3/b15-14+