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

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic 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)C3CCCCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4

InChI

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