(2R)-N-[(4-acetamidophenyl)methyl]-1-(4-bromophenyl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-[(4-acetamidophenyl)methyl]-1-(4-bromophenyl)sulfonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-[(4-acetamidophenyl)methyl]-1-(4-bromophenyl)sulfonyl-piperidine-2-carboxamide CAS Name: (2R)-N-[(4-acetamidophenyl)methyl]-1-(4-bromophenyl)sulfonyl-2-piperidinecarboxamide IUPAC Name: (2R)-N-[(4-acetamidophenyl)methyl]-1-(4-bromophenyl)sulfonylpiperidine-2-carboxamide Traditional Name: (2R)-N-(4-acetamidobenzyl)-1-brosyl-pipecolinamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)[C@H]2CCCCN2S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H24BrN3O4S/c1-15(26)24-18-9-5-16(6-10-18)14-23-21(27)20-4-2-3-13-25(20)30(28,29)19-11-7-17(22)8-12-19/h5-12,20H,2-4,13-14H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1