[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-(4,5-dimethoxy-2-nitrophenyl)methanone IUPAC Name: [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4,5-dimethoxy-2-nitrophenyl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-(4,5-dimethoxy-2-nitro-phenyl)methanone Formula: C17H18ClN3O7S2 MolecularWeight: 475.92372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18ClN3O7S2/c1-27-13-9-11(12(21(23)24)10-14(13)28-2)17(22)19-5-7-20(8-6-19)30(25,26)16-4-3-15(18)29-16/h3-4,9-10H,5-8H2,1-2H3