ethyl 1-[3-(phenylsulfonylamino)quinoxalin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(phenylsulfonylamino)quinoxalin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(benzenesulfonamido)quinoxalin-2-yl]piperidine-3-carboxylate CAS Name: 1-[3-(benzenesulfonamido)-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(benzenesulfonamido)quinoxalin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[3-(benzenesulfonamido)quinoxalin-2-yl]nipecotic acid ethyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O4S/c1-2-30-22(27)16-9-8-14-26(15-16)21-20(23-18-12-6-7-13-19(18)24-21)25-31(28,29)17-10-4-3-5-11-17/h3-7,10-13,16H,2,8-9,14-15H2,1H3,(H,23,25)