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

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3-benzothiazole Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3-benzothiazole CAS Name: 2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,3-benzothiazole IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,3-benzothiazole Traditional Name: 2-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-1,3-benzothiazole Formula: C17H15N3O4S3 MolecularWeight: 421.5137

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S3/c21-20(22)14-11-12(27(23,24)19-9-3-4-10-19)7-8-16(14)26-17-18-13-5-1-2-6-15(13)25-17/h1-2,5-8,11H,3-4,9-10H2