3-nitro-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]benzenesulfonamide

Systemtic Name: 3-nitro-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]benzenesulfonamide Openeye Name: 3-nitro-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]benzenesulfonamide CAS Name: 3-nitro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]benzenesulfonamide IUPAC Name: 3-nitro-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]benzenesulfonamide Traditional Name: 3-nitro-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]benzenesulfonamide Formula: C17H18F3N5O4S MolecularWeight: 445.41613

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H18F3N5O4S/c18-17(19,20)12-2-5-16(22-11-12)24-7-1-6-23(8-9-24)14-4-3-13(30(21,28)29)10-15(14)25(26)27/h2-5,10-11H,1,6-9H2,(H2,21,28,29)