1-[4-[(3-methylphenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[4-[(3-methylphenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxamide Openeye Name: 1-[4-(3-methyl-N-methylsulfonyl-anilino)butanoyl]piperidine-4-carboxamide CAS Name: 1-[4-(3-methyl-N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(3-methyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide Traditional Name: 1-[4-(N-mesyl-3-methyl-anilino)butanoyl]isonipecotamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-14-5-3-6-16(13-14)21(26(2,24)25)10-4-7-17(22)20-11-8-15(9-12-20)18(19)23/h3,5-6,13,15H,4,7-12H2,1-2H3,(H2,19,23)