(3R)-N-(3-bromophenyl)-1-propylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-(3-bromophenyl)-1-propylsulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-(3-bromophenyl)-1-propylsulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-(3-bromophenyl)-1-propylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-(3-bromophenyl)-1-propylsulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-(3-bromophenyl)-1-propylsulfonyl-nipecotamide Formula: C15H21BrN2O3S MolecularWeight: 389.30784

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CCCS(=O)(=O)N1CCC[C@H](C1)C(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H21BrN2O3S/c1-2-9-22(20,21)18-8-4-5-12(11-18)15(19)17-14-7-3-6-13(16)10-14/h3,6-7,10,12H,2,4-5,8-9,11H2,1H3,(H,17,19)/t12-/m1/s1