(3S)-1-(4-bromophenyl)sulfonyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-methyl-N-[[4-(methylthio)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-methyl-N-[4-(methylthio)benzyl]nipecotamide Formula: C21H25BrN2O3S2 MolecularWeight: 497.4688

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O3S2/c1-23(14-16-5-9-19(28-2)10-6-16)21(25)17-4-3-13-24(15-17)29(26,27)20-11-7-18(22)8-12-20/h5-12,17H,3-4,13-15H2,1-2H3/t17-/m0/s1