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

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxamide Openeye Name: 1-[4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanoyl]piperidine-4-carboxamide CAS Name: 1-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide Traditional Name: 1-[4-(3-chloro-N-mesyl-4-methoxy-anilino)butanoyl]isonipecotamide Formula: C18H26ClN3O5S MolecularWeight: 431.93414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O5S/c1-27-16-6-5-14(12-15(16)19)22(28(2,25)26)9-3-4-17(23)21-10-7-13(8-11-21)18(20)24/h5-6,12-13H,3-4,7-11H2,1-2H3,(H2,20,24)