(3-methylquinoxalin-2-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H27N3O4S/c1-18-23(26-22-8-4-3-7-21(22)25-18)17-31-24(28)14-11-19-9-12-20(13-10-19)32(29,30)27-15-5-2-6-16-27/h3-4,7-10,12-13H,2,5-6,11,14-17H2,1H3