ethyl (3S)-1-[3-(4-ethylphenyl)sulfonyl-6-methoxy-quinolin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(4-ethylphenyl)sulfonyl-6-methoxy-quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-quinolyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-quinolyl]nipecotic acid ethyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CCCC(C4)C(=O)OCC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CCC[C@@H](C4)C(=O)OCC)OC

InChI

InChI=1S/C26H30N2O5S/c1-4-18-8-11-21(12-9-18)34(30,31)24-16-27-23-13-10-20(32-3)15-22(23)25(24)28-14-6-7-19(17-28)26(29)33-5-2/h8-13,15-16,19H,4-7,14,17H2,1-3H3/t19-/m0/s1