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

Systemtic Name: 1-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxamide Openeye Name: 1-[4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanoyl]piperidine-4-carboxamide CAS Name: 1-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide Traditional Name: 1-[4-(5-chloro-N-mesyl-2-methyl-anilino)butanoyl]isonipecotamide Formula: C18H26ClN3O4S MolecularWeight: 415.93474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O4S/c1-13-5-6-15(19)12-16(13)22(27(2,25)26)9-3-4-17(23)21-10-7-14(8-11-21)18(20)24/h5-6,12,14H,3-4,7-11H2,1-2H3,(H2,20,24)