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

Systemtic Name: N-(4-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propanamide Openeye Name: N-(4-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-(4-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propanamide Traditional Name: N-(4-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]propionamide Formula: C21H24BrN3O5S MolecularWeight: 510.40136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24BrN3O5S/c1-15(21(26)23-17-4-2-16(22)3-5-17)24-8-10-25(11-9-24)31(27,28)18-6-7-19-20(14-18)30-13-12-29-19/h2-7,14-15H,8-13H2,1H3,(H,23,26)