N-prop-2-enyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-prop-2-enyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-allyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: 3-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide IUPAC Name: N-prop-2-enyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-allyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C21H23F3N4O3S MolecularWeight: 468.49253

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C=CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O3S/c1-2-9-26-32(30,31)18-6-3-5-16(14-18)20(29)28-11-4-10-27(12-13-28)19-8-7-17(15-25-19)21(22,23)24/h2-3,5-8,14-15,26H,1,4,9-13H2