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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-mesyl-isonipecotamide 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)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

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