3-[5-methoxy-3-[1-(4-methylsulfonylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]indol-1-yl]propanoic acid

Systemtic Name: 3-[5-methoxy-3-[1-(4-methylsulfonylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[2-hydroxy-1-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[2-hydroxy-2-keto-1-(4-mesylpiperazino)ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C19H25N3O7S MolecularWeight: 439.4827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)S(=O)(=O)C)CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)S(=O)(=O)C)CCC(=O)O

InChI

InChI=1S/C19H25N3O7S/c1-29-13-3-4-16-14(11-13)15(12-21(16)6-5-17(23)24)18(19(25)26)20-7-9-22(10-8-20)30(2,27)28/h3-4,11-12,18H,5-10H2,1-2H3,(H,23,24)(H,25,26)