methyl 1-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(5-chloro-N-mesyl-2-methyl-anilino)butanoyl]isonipecotic acid methyl ester Formula: C19H27ClN2O5S MolecularWeight: 430.94608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C19H27ClN2O5S/c1-14-6-7-16(20)13-17(14)22(28(3,25)26)10-4-5-18(23)21-11-8-15(9-12-21)19(24)27-2/h6-7,13,15H,4-5,8-12H2,1-3H3