1-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one

Systemtic Name: 1-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one Openeye Name: 1-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one CAS Name: 1-[4-(2-bromophenyl)sulfonyl-1-piperazinyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanone IUPAC Name: 1-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one Traditional Name: 1-[4-(2-bromophenyl)sulfonylpiperazino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=C4Br

InChI

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