(3S)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(5-bromo-2-methoxy-benzyl)-N-methyl-1-(2-thienylsulfonyl)nipecotamide Formula: C19H23BrN2O4S2 MolecularWeight: 487.43092

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H23BrN2O4S2/c1-21(12-15-11-16(20)7-8-17(15)26-2)19(23)14-5-3-9-22(13-14)28(24,25)18-6-4-10-27-18/h4,6-8,10-11,14H,3,5,9,12-13H2,1-2H3/t14-/m0/s1