(3-methylquinoxalin-2-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=NC4=CC=CC=C4N=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=NC4=CC=CC=C4N=C3C

InChI

InChI=1S/C23H25N3O4S/c1-16-10-11-18(31(28,29)26-12-6-3-7-13-26)14-19(16)23(27)30-15-22-17(2)24-20-8-4-5-9-21(20)25-22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3