3,5-dinitro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3,5-dinitro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3,5-dinitro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 3,5-dinitro-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 3,5-dinitro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3,5-dinitro-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)benzamide Formula: C18H15N5O7S2 MolecularWeight: 477.471

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O7S2/c24-17(11-7-12(22(25)26)9-13(8-11)23(27)28)20-18-19-15-4-3-14(10-16(15)31-18)32(29,30)21-5-1-2-6-21/h3-4,7-10H,1-2,5-6H2,(H,19,20,24)