1-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(4-brosyl-1,4-diazepan-1-yl)ethanone Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)CC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)CC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21BrN2O5S/c21-16-3-5-17(6-4-16)29(25,26)23-9-1-8-22(10-11-23)13-18(24)15-2-7-19-20(12-15)28-14-27-19/h2-7,12H,1,8-11,13-14H2