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

Systemtic Name: [4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]-morpholino-methanone CAS Name: [4-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [4-[4-(3,4-dichlorophenyl)sulfonylpiperazino]-3-nitro-phenyl]-morpholino-methanone Formula: C21H22Cl2N4O6S MolecularWeight: 529.39358

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4O6S/c22-17-3-2-16(14-18(17)23)34(31,32)26-7-5-24(6-8-26)19-4-1-15(13-20(19)27(29)30)21(28)25-9-11-33-12-10-25/h1-4,13-14H,5-12H2