(3-methylquinoxalin-2-yl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S/c1-17(2)19-8-10-21(11-9-19)33(30,31)28-14-12-20(13-15-28)25(29)32-16-24-18(3)26-22-6-4-5-7-23(22)27-24/h4-11,17,20H,12-16H2,1-3H3