2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-N-(1,3-thiazol-2-yl)benzamide

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-N-(1,3-thiazol-2-yl)benzamide Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-N-thiazol-2-yl-benzamide CAS Name: 2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-N-(2-thiazolyl)benzamide IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)benzamide Traditional Name: 2-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-N-thiazol-2-yl-benzamide Formula: C20H18N4O5S3 MolecularWeight: 490.57572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3C(=O)NC4=NC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3C(=O)NC4=NC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S3/c25-19(22-20-21-9-12-30-20)15-5-1-2-6-17(15)31-18-8-7-14(13-16(18)24(26)27)32(28,29)23-10-3-4-11-23/h1-2,5-9,12-13H,3-4,10-11H2,(H,21,22,25)