quinolin-8-yl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: quinolin-8-yl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 8-quinolyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid 8-quinolyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H22N2O4S/c1-16-10-11-18(29(26,27)24-13-3-2-4-14-24)15-19(16)22(25)28-20-9-5-7-17-8-6-12-23-21(17)20/h5-12,15H,2-4,13-14H2,1H3