3-[5-methoxy-1-[4-[(quinolin-7-ylamino)methyl]phenyl]sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[5-methoxy-1-[4-[(quinolin-7-ylamino)methyl]phenyl]sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-methoxy-1-[4-[(7-quinolylamino)methyl]phenyl]sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-methoxy-1-[4-[(7-quinolinylamino)methyl]phenyl]sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-1-[4-[(quinolin-7-ylamino)methyl]phenyl]sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-methoxy-1-[4-[(7-quinolylamino)methyl]phenyl]sulfonyl-indol-3-yl]propionic acid Formula: C28H25N3O5S MolecularWeight: 515.5802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)CNC4=CC5=C(C=CC=N5)C=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)CNC4=CC5=C(C=CC=N5)C=C4

InChI

InChI=1S/C28H25N3O5S/c1-36-23-9-12-27-25(16-23)21(7-13-28(32)33)18-31(27)37(34,35)24-10-4-19(5-11-24)17-30-22-8-6-20-3-2-14-29-26(20)15-22/h2-6,8-12,14-16,18,30H,7,13,17H2,1H3,(H,32,33)