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

Systemtic Name: 3,5-dinitro-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3,5-dinitro-N-[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]benzamide CAS Name: 3,5-dinitro-N-[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 3,5-dinitro-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3,5-dinitro-N-(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)benzamide Formula: C19H17N5O7S2 MolecularWeight: 491.49758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)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(CC1)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/C19H17N5O7S2/c25-18(12-8-13(23(26)27)10-14(9-12)24(28)29)21-19-20-16-5-4-15(11-17(16)32-19)33(30,31)22-6-2-1-3-7-22/h4-5,8-11H,1-3,6-7H2,(H,20,21,25)