1-(4-bromophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-3-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-3-carboxamide Traditional Name: 1-brosyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)nipecotamide Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23BrN2O5S/c22-17-4-6-18(7-5-17)30(26,27)24-9-1-2-16(14-24)21(25)23-13-15-3-8-19-20(12-15)29-11-10-28-19/h3-8,12,16H,1-2,9-11,13-14H2,(H,23,25)