1-[(3-bromophenyl)methylsulfonyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[2-(allylcarbamoyl)phenyl]-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-[oxo-(prop-2-enylamino)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[2-(allylcarbamoyl)phenyl]-1-(3-bromobenzyl)sulfonyl-isonipecotamide Formula: C23H26BrN3O4S MolecularWeight: 520.43924

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C=CCNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H26BrN3O4S/c1-2-12-25-23(29)20-8-3-4-9-21(20)26-22(28)18-10-13-27(14-11-18)32(30,31)16-17-6-5-7-19(24)15-17/h2-9,15,18H,1,10-14,16H2,(H,25,29)(H,26,28)