N-[1-(3-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(3-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(3-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(3-bromophenyl)ethyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(3-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=C1)Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

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

InChI

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