N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C18H16N4O5S2 MolecularWeight: 432.47344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S2/c23-17(20-18-19-15-8-5-13(22(24)25)11-16(15)28-18)12-3-6-14(7-4-12)29(26,27)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,19,20,23)