N-[1-(2-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(2-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(2-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(2-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(2-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonyl-isonipecotamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C1=CC=CC=C1Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H22BrN3O3S/c1-15(18-7-3-4-8-19(18)22)24-21(26)16-10-12-25(13-11-16)29(27,28)20-9-5-2-6-17(20)14-23/h2-9,15-16H,10-13H2,1H3,(H,24,26)