N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-bromophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-piperonyl-isonipecotamide Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H23BrN2O5S/c22-18-3-1-2-16(10-18)13-30(26,27)24-8-6-17(7-9-24)21(25)23-12-15-4-5-19-20(11-15)29-14-28-19/h1-5,10-11,17H,6-9,12-14H2,(H,23,25)