(3-methylquinoxalin-2-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4S/c1-16-21(24-20-10-6-5-9-19(20)23-16)15-29-22(26)17-11-13-25(14-12-17)30(27,28)18-7-3-2-4-8-18/h2-10,17H,11-15H2,1H3