N-(4-acetamidophenyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(4-acetamidophenyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(4-acetamidophenyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(4-acetamidophenyl)-1-[(3-bromophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-acetamidophenyl)-1-(3-bromobenzyl)sulfonyl-isonipecotamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H24BrN3O4S/c1-15(26)23-19-5-7-20(8-6-19)24-21(27)17-9-11-25(12-10-17)30(28,29)14-16-3-2-4-18(22)13-16/h2-8,13,17H,9-12,14H2,1H3,(H,23,26)(H,24,27)