methyl 1-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(3-chloro-N-mesyl-4-methoxy-anilino)butanoyl]isonipecotic acid methyl ester Formula: C19H27ClN2O6S MolecularWeight: 446.94548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H27ClN2O6S/c1-27-17-7-6-15(13-16(17)20)22(29(3,25)26)10-4-5-18(23)21-11-8-14(9-12-21)19(24)28-2/h6-7,13-14H,4-5,8-12H2,1-3H3