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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide Openeye Name: N-(3-allyloxyphenyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-prop-2-enoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide Traditional Name: N-(3-allyloxyphenyl)-1-(3-bromobenzyl)sulfonyl-isonipecotamide Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C=CCOC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H25BrN2O4S/c1-2-13-29-21-8-4-7-20(15-21)24-22(26)18-9-11-25(12-10-18)30(27,28)16-17-5-3-6-19(23)14-17/h2-8,14-15,18H,1,9-13,16H2,(H,24,26)