2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3-benzothiazole

Systemtic Name: 2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3-benzothiazole Openeye Name: 2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]thio]-1,3-benzothiazole IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3-benzothiazole Traditional Name: 2-[[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]thio]-1,3-benzothiazole Formula: C18H18N4O4S3 MolecularWeight: 450.55492

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S3/c1-20-8-10-21(11-9-20)29(25,26)13-6-7-17(15(12-13)22(23)24)28-18-19-14-4-2-3-5-16(14)27-18/h2-7,12H,8-11H2,1H3