2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,3-benzothiazole

Systemtic Name: 2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,3-benzothiazole Openeye Name: 2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,3-benzothiazole CAS Name: 2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-1,3-benzothiazole IUPAC Name: 2-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1,3-benzothiazole Traditional Name: 2-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]-1,3-benzothiazole Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S2/c22-21(23)15-11-13(28(24,25)20-9-3-4-10-20)7-8-16(15)26-12-18-19-14-5-1-2-6-17(14)27-18/h1-2,5-8,11H,3-4,9-10,12H2