2-azanylethyl 3-[2-(4-fluorophenyl)sulfonyl-3-(pyridin-3-ylmethyl)indol-1-yl]propanoate

Systemtic Name: 2-azanylethyl 3-[2-(4-fluorophenyl)sulfonyl-3-(pyridin-3-ylmethyl)indol-1-yl]propanoate Openeye Name: 2-aminoethyl 3-[2-(4-fluorophenyl)sulfonyl-3-(3-pyridylmethyl)indol-1-yl]propanoate CAS Name: 3-[2-(4-fluorophenyl)sulfonyl-3-(3-pyridinylmethyl)-1-indolyl]propanoic acid 2-aminoethyl ester IUPAC Name: 2-aminoethyl 3-[2-(4-fluorophenyl)sulfonyl-3-(pyridin-3-ylmethyl)indol-1-yl]propanoate Traditional Name: 3-[2-(4-fluorophenyl)sulfonyl-3-(3-pyridylmethyl)indol-1-yl]propionic acid 2-aminoethyl ester Formula: C25H24FN3O4S MolecularWeight: 481.539163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CCC(=O)OCCN)S(=O)(=O)C3=CC=C(C=C3)F)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CCC(=O)OCCN)S(=O)(=O)C3=CC=C(C=C3)F)CC4=CN=CC=C4

InChI

InChI=1S/C25H24FN3O4S/c26-19-7-9-20(10-8-19)34(31,32)25-22(16-18-4-3-13-28-17-18)21-5-1-2-6-23(21)29(25)14-11-24(30)33-15-12-27/h1-10,13,17H,11-12,14-16,27H2