quinolin-8-ylmethyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: quinolin-8-ylmethyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: 8-quinolylmethyl 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid 8-quinolylmethyl ester Formula: C23H23ClN2O4S MolecularWeight: 458.95772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC4=C3N=CC=C4)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC4=C3N=CC=C4)Cl

InChI

InChI=1S/C23H23ClN2O4S/c1-16-5-4-12-26(14-16)31(28,29)21-13-18(9-10-20(21)24)23(27)30-15-19-7-2-6-17-8-3-11-25-22(17)19/h2-3,6-11,13,16H,4-5,12,14-15H2,1H3