2-[(4-cyanophenyl)carbamoyl-[4-(2-dimethoxyphosphorylethyl)phenyl]amino]ethyl methanesulfonate

Systemtic Name: 2-[(4-cyanophenyl)carbamoyl-[4-(2-dimethoxyphosphorylethyl)phenyl]amino]ethyl methanesulfonate Openeye Name: 2-[N-[(4-cyanophenyl)carbamoyl]-4-(2-dimethoxyphosphorylethyl)anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[N-[(4-cyanoanilino)-oxomethyl]-4-(2-dimethoxyphosphorylethyl)anilino]ethyl ester IUPAC Name: 2-[N-[(4-cyanophenyl)carbamoyl]-4-(2-dimethoxyphosphorylethyl)anilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[N-[(4-cyanophenyl)carbamoyl]-4-(2-dimethoxyphosphorylethyl)anilino]ethyl ester Formula: C21H26N3O7PS MolecularWeight: 495.485801

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CCC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

COP(=O)(CCC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C21H26N3O7PS/c1-29-32(26,30-2)15-12-17-6-10-20(11-7-17)24(13-14-31-33(3,27)28)21(25)23-19-8-4-18(16-22)5-9-19/h4-11H,12-15H2,1-3H3,(H,23,25)