4-nitro-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-nitro-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-nitro-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-2-yl]benzamide CAS Name: 4-nitro-N-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolyl]benzamide IUPAC Name: 4-nitro-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-nitro-N-[4-(4-pyrrolidinosulfonylphenyl)thiazol-2-yl]benzamide Formula: C20H18N4O5S2 MolecularWeight: 458.51072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S2/c25-19(15-3-7-16(8-4-15)24(26)27)22-20-21-18(13-30-20)14-5-9-17(10-6-14)31(28,29)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2,(H,21,22,25)