[3-[3-(1-azanylethenylamino)oxypropoxy]-5-methyl-phenyl] 3-methylquinoline-8-sulfonate

Systemtic Name: [3-[3-(1-azanylethenylamino)oxypropoxy]-5-methyl-phenyl] 3-methylquinoline-8-sulfonate Openeye Name: [3-[3-(1-aminovinylamino)oxypropoxy]-5-methyl-phenyl] 3-methylquinoline-8-sulfonate CAS Name: 3-methyl-8-quinolinesulfonic acid [3-[3-(1-aminoethenylamino)oxypropoxy]-5-methylphenyl] ester IUPAC Name: [3-[3-(1-aminoethenylamino)oxypropoxy]-5-methylphenyl] 3-methylquinoline-8-sulfonate Traditional Name: 3-methylquinoline-8-sulfonic acid [3-[3-(1-aminovinylamino)oxypropoxy]-5-methyl-phenyl] ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC3=CC(=CN=C32)C)OCCCONC(=C)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC3=CC(=CN=C32)C)OCCCONC(=C)N

InChI

InChI=1S/C22H25N3O5S/c1-15-11-19(28-8-5-9-29-25-17(3)23)13-20(12-15)30-31(26,27)21-7-4-6-18-10-16(2)14-24-22(18)21/h4,6-7,10-14,25H,3,5,8-9,23H2,1-2H3