N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-methylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-methylsulfonyl-piperidine-2-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-methylsulfonyl-piperidine-2-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-methylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-methylsulfonylpiperidine-2-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-mesyl-pipecolinamide Formula: C16H22BrN3O4S MolecularWeight: 432.33258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCCCN2S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCCCN2S(=O)(=O)C

InChI

InChI=1S/C16H22BrN3O4S/c1-11-9-12(17)6-7-13(11)19-15(21)10-18-16(22)14-5-3-4-8-20(14)25(2,23)24/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,18,22)(H,19,21)