4-azanyl-2-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]methyl]isoindoline-1,3-quinone Formula: C17H17BrN4O4S2 MolecularWeight: 485.37528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)N)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)N)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C17H17BrN4O4S2/c18-13-4-5-14(27-13)28(25,26)21-8-6-20(7-9-21)10-22-16(23)11-2-1-3-12(19)15(11)17(22)24/h1-5H,6-10,19H2