(3-methylquinoxalin-2-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3N=C2C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3N=C2C

InChI

InChI=1S/C18H23N3O4S/c1-3-26(23,24)21-10-8-14(9-11-21)18(22)25-12-17-13(2)19-15-6-4-5-7-16(15)20-17/h4-7,14H,3,8-12H2,1-2H3