4-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C23H19FN4O5S2 MolecularWeight: 514.549163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H19FN4O5S2/c24-16-6-9-19(10-7-16)35(32,33)13-3-5-22(29)27(15-17-4-1-2-12-25-17)23-26-20-11-8-18(28(30)31)14-21(20)34-23/h1-2,4,6-12,14H,3,5,13,15H2