[4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]-morpholino-methanone CAS Name: [4-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [4-(4-brosylpiperazino)-3-nitro-phenyl]-morpholino-methanone Formula: C21H23BrN4O6S MolecularWeight: 539.39952

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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(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O6S/c22-17-2-4-18(5-3-17)33(30,31)25-9-7-23(8-10-25)19-6-1-16(15-20(19)26(28)29)21(27)24-11-13-32-14-12-24/h1-6,15H,7-14H2