(3S)-1-(4-bromophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-o-anisyl-nipecotamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O4S/c1-27-19-7-3-2-5-15(19)13-22-20(24)16-6-4-12-23(14-16)28(25,26)18-10-8-17(21)9-11-18/h2-3,5,7-11,16H,4,6,12-14H2,1H3,(H,22,24)/t16-/m0/s1