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

Systemtic Name: N-[(2S)-1-[(4-bromanyl-3-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-[(4-bromo-3-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-(4-bromo-3-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(4-bromo-3-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-[(4-bromo-3-methyl-phenyl)carbamoyl]-3-(methylthio)propyl]-1-tosyl-isonipecotamide Formula: C25H32BrN3O4S2 MolecularWeight: 582.57328

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H32BrN3O4S2/c1-17-4-7-21(8-5-17)35(32,33)29-13-10-19(11-14-29)24(30)28-23(12-15-34-3)25(31)27-20-6-9-22(26)18(2)16-20/h4-9,16,19,23H,10-15H2,1-3H3,(H,27,31)(H,28,30)/t23-/m0/s1