1-[(3-bromophenyl)methylsulfonyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-isopropoxyphenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-propan-2-yloxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(4-isopropoxyphenyl)isonipecotamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H27BrN2O4S/c1-16(2)29-21-8-6-20(7-9-21)24-22(26)18-10-12-25(13-11-18)30(27,28)15-17-4-3-5-19(23)14-17/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,24,26)