N-[(2S)-1-[(4-bromanyl-3-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-[(4-bromanyl-3-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-methyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-(4-bromo-3-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(4-bromo-3-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-methyl-propyl]-1-tosyl-isonipecotamide Formula: C25H32BrN3O4S MolecularWeight: 550.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C(C)C)C(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C25H32BrN3O4S/c1-16(2)23(25(31)27-20-7-10-22(26)18(4)15-20)28-24(30)19-11-13-29(14-12-19)34(32,33)21-8-5-17(3)6-9-21/h5-10,15-16,19,23H,11-14H2,1-4H3,(H,27,31)(H,28,30)/t23-/m0/s1