quinolin-8-ylmethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: quinolin-8-ylmethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 8-quinolylmethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid 8-quinolylmethyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC4=C3N=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC4=C3N=CC=C4)C

InChI

InChI=1S/C25H28N2O4S/c1-17-14-18(2)24(19(3)15-17)32(29,30)27-12-9-21(10-13-27)25(28)31-16-22-7-4-6-20-8-5-11-26-23(20)22/h4-8,11,14-15,21H,9-10,12-13,16H2,1-3H3