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

Systemtic Name: 2-[1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole Openeye Name: 2-[1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole CAS Name: 2-[1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethyl]-1,3-benzothiazole IUPAC Name: 2-[1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole Traditional Name: 2-[1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]ethyl]-1,3-benzothiazole Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4O4S2/c1-14-7-8-16(24(25)26)13-19(14)30(27,28)23-11-9-22(10-12-23)15(2)20-21-17-5-3-4-6-18(17)29-20/h3-8,13,15H,9-12H2,1-2H3