[4-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [4-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-3-nitro-phenyl]-morpholino-methanone CAS Name: [4-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [4-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-3-nitro-phenyl]-morpholino-methanone Formula: C19H21BrN4O6S2 MolecularWeight: 545.42724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C19H21BrN4O6S2/c20-17-3-4-18(31-17)32(28,29)23-7-5-21(6-8-23)15-2-1-14(13-16(15)24(26)27)19(25)22-9-11-30-12-10-22/h1-4,13H,5-12H2