N-(3-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(3-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(3-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]acetamide Traditional Name: N-(3-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]acetamide Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22BrN3O5S/c21-15-2-1-3-16(12-15)22-20(25)14-23-6-8-24(9-7-23)30(26,27)17-4-5-18-19(13-17)29-11-10-28-18/h1-5,12-13H,6-11,14H2,(H,22,25)