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

Systemtic Name: N-[1-(2-bromophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(2-bromophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(2-bromophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(2-bromophenyl)ethyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-bromophenyl)ethyl]-1-(4-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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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