N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C19H17N5O5S2 MolecularWeight: 459.49878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5S2/c25-17(13-6-8-16(9-7-13)31(28,29)23-10-1-2-11-23)20-19-22-21-18(30-19)14-4-3-5-15(12-14)24(26)27/h3-9,12H,1-2,10-11H2,(H,20,22,25)