2-[1-[4-(2-methoxy-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole

Systemtic Name: 2-[1-[4-(2-methoxy-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole Openeye Name: 2-[1-[4-(2-methoxy-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole CAS Name: 2-[1-[4-(2-methoxy-5-nitrophenyl)sulfonyl-1-piperazinyl]ethyl]-1,3-benzothiazole IUPAC Name: 2-[1-[4-(2-methoxy-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole Traditional Name: 2-[1-[4-(2-methoxy-5-nitro-phenyl)sulfonylpiperazino]ethyl]-1,3-benzothiazole Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N4O5S2/c1-14(20-21-16-5-3-4-6-18(16)30-20)22-9-11-23(12-10-22)31(27,28)19-13-15(24(25)26)7-8-17(19)29-2/h3-8,13-14H,9-12H2,1-2H3