(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C21H21ClN2O5S2 MolecularWeight: 480.98484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C21H21ClN2O5S2/c1-28-17-5-4-15-11-16(20(22)23-18(15)12-17)13-29-21(25)14-6-8-24(9-7-14)31(26,27)19-3-2-10-30-19/h2-5,10-12,14H,6-9,13H2,1H3