2-[[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]amino]propyl methanesulfonate

Systemtic Name: 2-[[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]amino]propyl methanesulfonate Openeye Name: 2-[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]anilino]propyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-cyano-2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]anilino]propyl ester IUPAC Name: 2-[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]anilino]propyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-cyano-2-(veratrylcarbamoyl)anilino]propyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(COS(=O)(=O)C)NC1=C(C=C(C=C1)C#N)C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(COS(=O)(=O)C)NC1=C(C=C(C=C1)C#N)C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H25N3O6S/c1-14(13-30-31(4,26)27)24-18-7-5-15(11-22)9-17(18)21(25)23-12-16-6-8-19(28-2)20(10-16)29-3/h5-10,14,24H,12-13H2,1-4H3,(H,23,25)