2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3-benzothiazole

Systemtic Name: 2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3-benzothiazole Openeye Name: 2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-1,3-benzothiazole IUPAC Name: 2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-1,3-benzothiazole Traditional Name: 2-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-1,3-benzothiazole Formula: C18H17N3O4S3 MolecularWeight: 435.54028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S3/c22-21(23)15-12-13(28(24,25)20-10-4-1-5-11-20)8-9-17(15)27-18-19-14-6-2-3-7-16(14)26-18/h2-3,6-9,12H,1,4-5,10-11H2