[4-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

Systemtic Name: [4-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Openeye Name: [4-(4-bromo-2-ethyl-phenyl)sulfonylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone CAS Name: [4-(4-bromo-2-ethylphenyl)sulfonyl-1-piperazinyl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone IUPAC Name: [4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Traditional Name: [4-(4-bromo-2-ethyl-phenyl)sulfonylpiperazino]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H23BrN2O5S/c1-2-15-13-16(22)7-8-20(15)30(26,27)24-11-9-23(10-12-24)21(25)19-14-28-17-5-3-4-6-18(17)29-19/h3-8,13,19H,2,9-12,14H2,1H3