N-[1-(3-bromophenyl)ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3-bromophenyl)ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(3-bromophenyl)ethyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(3-bromophenyl)ethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[1-(3-bromophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(3-bromophenyl)ethyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C19H22BrN3O3S MolecularWeight: 452.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C1=CC(=CC=C1)Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H22BrN3O3S/c1-14(16-4-2-5-17(20)12-16)22-19(24)15-7-10-23(11-8-15)27(25,26)18-6-3-9-21-13-18/h2-6,9,12-15H,7-8,10-11H2,1H3,(H,22,24)