1-[(3-bromophenyl)methylsulfonyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[3-[mesyl(methyl)amino]phenyl]isonipecotamide Formula: C21H26BrN3O5S2 MolecularWeight: 544.48224

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br)S(=O)(=O)C

InChI

InChI=1S/C21H26BrN3O5S2/c1-24(31(2,27)28)20-8-4-7-19(14-20)23-21(26)17-9-11-25(12-10-17)32(29,30)15-16-5-3-6-18(22)13-16/h3-8,13-14,17H,9-12,15H2,1-2H3,(H,23,26)