1-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxamide CAS Name: 1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-(4-bromo-N-mesyl-3-methyl-anilino)acetyl]isonipecotamide Formula: C16H22BrN3O4S MolecularWeight: 432.33258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O4S/c1-11-9-13(3-4-14(11)17)20(25(2,23)24)10-15(21)19-7-5-12(6-8-19)16(18)22/h3-4,9,12H,5-8,10H2,1-2H3,(H2,18,22)