(4-tert-butyl-2-methyl-phenyl) 1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(1-methylpyrrol-3-yl)sulfonylisonipecotic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

InChI

InChI=1S/C22H30N2O4S/c1-16-14-18(22(2,3)4)6-7-20(16)28-21(25)17-8-12-24(13-9-17)29(26,27)19-10-11-23(5)15-19/h6-7,10-11,14-15,17H,8-9,12-13H2,1-5H3