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

Systemtic Name: N-[1-(4-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(4-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(4-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(4-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(4-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=C(C=C1)Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

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

InChI

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