ethyl (E)-3-[2-(diethoxyphosphorylmethyl)-1-(phenylsulfonyl)indol-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-(diethoxyphosphorylmethyl)-1-(phenylsulfonyl)indol-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-(benzenesulfonyl)-2-(diethoxyphosphorylmethyl)indol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(benzenesulfonyl)-2-(diethoxyphosphorylmethyl)-3-indolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-(benzenesulfonyl)-2-(diethoxyphosphorylmethyl)indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-besyl-2-(diethoxyphosphorylmethyl)indol-3-yl]acrylic acid ethyl ester Formula: C24H28NO7PS MolecularWeight: 505.520381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)CP(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)/C=C/C1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)CP(=O)(OCC)OCC

InChI

InChI=1S/C24H28NO7PS/c1-4-30-24(26)17-16-21-20-14-10-11-15-22(20)25(34(28,29)19-12-8-7-9-13-19)23(21)18-33(27,31-5-2)32-6-3/h7-17H,4-6,18H2,1-3H3/b17-16+