3-[5-[2-(methylsulfonylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[5-[2-(methylsulfonylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[5-[2-(methanesulfonamido)ethyl]-3-(3-pyridylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[5-[2-(methanesulfonamido)ethyl]-3-(3-pyridinylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[5-[2-(methanesulfonamido)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[5-[2-(methanesulfonamido)ethyl]-3-(3-pyridylmethyl)indol-1-yl]propionic acid Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC2=C(C=C1)N(C=C2CC3=CN=CC=C3)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)NCCC1=CC2=C(C=C1)N(C=C2CC3=CN=CC=C3)CCC(=O)O

InChI

InChI=1S/C20H23N3O4S/c1-28(26,27)22-9-6-15-4-5-19-18(12-15)17(11-16-3-2-8-21-13-16)14-23(19)10-7-20(24)25/h2-5,8,12-14,22H,6-7,9-11H2,1H3,(H,24,25)